 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104087/Gau-43873.inp" -scrdir="/scratch/9104087/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43876.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer05_B3LYP_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer05_B3LYP_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:48:16 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H(Iso=2)              0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H                    -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           2           1           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   2.0141018   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           2           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.8574380   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           1           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   1.0078250   2.0141018
 NucSpn=           2           1           1           1           2           1           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   2.7928460   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:48:16 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9863730           3.8158056           3.6615706
 Leave Link  202 at Thu Jan 27 11:48:16 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0222213832 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5720799793 Hartrees.
 Leave Link  301 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:              13.7 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer05_B3LYP_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:48:18 2022, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.810016396924    
 DIIS: error= 2.73D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.810016396924     IErMin= 1 ErrMin= 2.73D-03
 ErrMax= 2.73D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-03 BMatP= 2.40D-03
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.73D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 GapD=    0.345 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.86D-02 MaxDP=2.74D+00              OVMax= 7.64D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.59D-02    CP:  1.35D+00
 E= -197.812143774148     Delta-E=       -0.002127377224 Rises=F Damp=F
 DIIS: error= 2.52D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.812143774148     IErMin= 2 ErrMin= 2.52D-04
 ErrMax= 2.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-05 BMatP= 2.40D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.52D-03
 Coeff-Com:  0.536D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.534D-03 0.999D+00
 Gap=     0.309 Goal=   None    Shift=    0.000
 RMSDP=6.02D-04 MaxDP=9.91D-02 DE=-2.13D-03 OVMax= 1.72D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.64D-04    CP:  1.36D+00  1.03D+00
 E= -197.812141354207     Delta-E=        0.000002419941 Rises=F Damp=F
 DIIS: error= 3.31D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -197.812143774148     IErMin= 2 ErrMin= 2.52D-04
 ErrMax= 3.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-05 BMatP= 1.55D-05
 IDIUse=3 WtCom= 3.55D-01 WtEn= 6.45D-01
 Coeff-Com: -0.773D-02 0.519D+00 0.489D+00
 Coeff-En:   0.000D+00 0.536D+00 0.464D+00
 Coeff:     -0.274D-02 0.530D+00 0.473D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=6.84D-05 MaxDP=7.48D-03 DE= 2.42D-06 OVMax= 8.89D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.67D-05    CP:  1.36D+00  1.04D+00  9.75D-01
 E= -197.812160235088     Delta-E=       -0.000018880881 Rises=F Damp=F
 DIIS: error= 4.87D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.812160235088     IErMin= 4 ErrMin= 4.87D-05
 ErrMax= 4.87D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-07 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.195D-02 0.626D-01 0.129D+00 0.810D+00
 Coeff:     -0.195D-02 0.626D-01 0.129D+00 0.810D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=1.41D-05 MaxDP=1.65D-03 DE=-1.89D-05 OVMax= 1.49D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.78D-06    CP:  1.36D+00  1.04D+00  9.83D-01  8.98D-01
 E= -197.812160411359     Delta-E=       -0.000000176271 Rises=F Damp=F
 DIIS: error= 2.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.812160411359     IErMin= 5 ErrMin= 2.59D-05
 ErrMax= 2.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.60D-08 BMatP= 2.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.683D-03 0.115D-02 0.443D-01 0.457D+00 0.499D+00
 Coeff:     -0.683D-03 0.115D-02 0.443D-01 0.457D+00 0.499D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=4.03D-06 MaxDP=3.86D-04 DE=-1.76D-07 OVMax= 5.68D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.24D-06    CP:  1.36D+00  1.04D+00  9.82D-01  8.85D-01  6.90D-01
 E= -197.812160481794     Delta-E=       -0.000000070435 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.812160481794     IErMin= 6 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.72D-10 BMatP= 7.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.852D-04-0.110D-02 0.646D-02 0.676D-01 0.860D-01 0.841D+00
 Coeff:     -0.852D-04-0.110D-02 0.646D-02 0.676D-01 0.860D-01 0.841D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=3.52D-07 MaxDP=1.35D-05 DE=-7.04D-08 OVMax= 3.46D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.19D-07    CP:  1.36D+00  1.04D+00  9.83D-01  8.85D-01  7.10D-01
                    CP:  9.52D-01
 E= -197.812160481980     Delta-E=       -0.000000000186 Rises=F Damp=F
 DIIS: error= 2.08D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.812160481980     IErMin= 7 ErrMin= 2.08D-07
 ErrMax= 2.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-12 BMatP= 1.72D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.422D-05-0.114D-03-0.261D-03-0.384D-02-0.426D-02 0.122D+00
 Coeff-Com:  0.886D+00
 Coeff:      0.422D-05-0.114D-03-0.261D-03-0.384D-02-0.426D-02 0.122D+00
 Coeff:      0.886D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=5.51D-08 MaxDP=4.35D-06 DE=-1.86D-10 OVMax= 3.95D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.56D-08    CP:  1.36D+00  1.04D+00  9.83D-01  8.85D-01  7.10D-01
                    CP:  9.64D-01  9.11D-01
 E= -197.812160481985     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 9.57D-09 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.812160481985     IErMin= 8 ErrMin= 9.57D-09
 ErrMax= 9.57D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.47D-15 BMatP= 4.20D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.492D-06-0.499D-05-0.588D-04-0.462D-03-0.570D-03 0.265D-02
 Coeff-Com:  0.323D-01 0.966D+00
 Coeff:      0.492D-06-0.499D-05-0.588D-04-0.462D-03-0.570D-03 0.265D-02
 Coeff:      0.323D-01 0.966D+00
 Gap=     0.310 Goal=   None    Shift=    0.000
 RMSDP=2.70D-09 MaxDP=1.72D-07 DE=-4.72D-12 OVMax= 2.87D-08

 SCF Done:  E(RB3LYP) =  -197.812160482     A.U. after    8 cycles
            NFock=  8  Conv=0.27D-08     -V/T= 2.0072
 KE= 1.963898533330D+02 PE=-8.537434256744D+02 EE= 2.609693318801D+02
 Leave Link  502 at Thu Jan 27 11:48:51 2022, MaxMem=  5368709120 cpu:             261.0 elap:              32.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.11219674D+03

 Leave Link  801 at Thu Jan 27 11:48:51 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 2.48D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 1.02D-01 8.71D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 1.70D-02 2.28D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 1.15D-03 8.86D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 1.19D-05 1.15D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 1.07D-07 6.75D-05.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 4.09D-10 4.54D-06.
      8 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 9.95D-13 2.81D-07.
      3 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 1.82D-15 1.09D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension    88 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.679363D+02
      2  0.104646D-03  0.679356D+02
      3  0.340207D-03 -0.300050D-03  0.679361D+02
 Isotropic polarizability for W=    0.085645       67.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.360218D+00  0.156477D-01  0.128680D+01
      2   0.160921D+01 -0.100005D+01 -0.476175D+00
      3  -0.124899D+01  0.984405D+00 -0.810623D+00
      4   0.137449D-01  0.160915D+01  0.171860D+01
      5   0.128738D+01  0.171863D+01 -0.124743D+01
      6   0.171902D+01 -0.474928D+00  0.981361D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.363539D-03 -0.120374D-02 -0.143987D-02
      2  -0.119812D-02 -0.732326D-04 -0.512211D-03
      3   0.100893D-02  0.132248D-02  0.219748D-05
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.288508D-04  0.124669D-02  0.304377D-02
      2  -0.581027D-03 -0.423519D-03  0.156054D-02
      3  -0.190277D-02  0.591973D-04  0.394668D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.283048D-04  0.683671D-03  0.250360D-03
      2   0.683671D-03 -0.286550D-03  0.000000D+00
      3   0.250360D-03  0.000000D+00 -0.119719D-03
 OR G Eigenvalues:    -0.0009    -0.0001     0.0006  Iso=     0.0001
 Eigenvectors:
   (1)  -0.645466   0.734199   0.210537
   (2)  -0.071773  -0.332733   0.940286
   (3)   0.760410   0.591811   0.267463
 w=    0.085645 a.u., Optical Rotation Beta=      0.0001 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.10 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.54D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.11D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 5.69D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 9.20D-03 2.50D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 8.92D-04 5.34D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.89D-05 1.33D-03.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 3.74D-07 1.21D-04.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 6.33D-10 7.76D-06.
     12 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 1.30D-12 1.72D-07.
      1 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 3.34D-15 1.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   193 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.75D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 8.75D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.94D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.679363D+02  0.104646D-03  0.340207D-03
      2   0.104646D-03  0.679356D+02 -0.300050D-03
      3   0.340207D-03 -0.300050D-03  0.679361D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.363539D-03 -0.120374D-02 -0.143987D-02
      2  -0.119812D-02 -0.732326D-04 -0.512211D-03
      3   0.100893D-02  0.132248D-02  0.219748D-05
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.360218D+00  0.156477D-01  0.128680D+01
      2   0.160921D+01 -0.100005D+01 -0.476175D+00
      3  -0.124899D+01  0.984405D+00 -0.810623D+00
      4   0.137449D-01  0.160915D+01  0.171860D+01
      5   0.128738D+01  0.171863D+01 -0.124743D+01
      6   0.171902D+01 -0.474928D+00  0.981361D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.125008D+01  0.684931D-01  0.455676D+01  0.705563D-01  0.568673D+01
      2   0.684931D-01  0.567638D+01  0.608743D+01  0.568673D+01 -0.353440D+01
      3   0.455676D+01  0.608743D+01 -0.442003D+01  0.608551D+01 -0.169783D+01
                 6             7             8             9            10 
      1   0.608551D+01  0.455099D+01  0.608771D+01 -0.442020D+01 -0.758363D+00
      2  -0.169783D+01  0.608771D+01 -0.170291D+01  0.346611D+01 -0.495014D-01
      3   0.346946D+01 -0.442020D+01  0.346611D+01 -0.284432D+01 -0.297712D+01
                11            12            13            14            15 
      1  -0.495014D-01 -0.297712D+01  0.330913D+00 -0.509687D+01 -0.433518D+01
      2  -0.371257D+01 -0.433490D+01 -0.509687D+01  0.149687D+01  0.223182D+01
      3  -0.433490D+01  0.379697D+01 -0.433518D+01  0.223182D+01 -0.202814D+01
                16            17            18            19            20 
      1  -0.411223D+01 -0.433742D+01  0.241722D+01  0.251644D+01  0.296385D+00
      2  -0.433742D+01  0.109731D+01 -0.241615D+01  0.296385D+00 -0.447842D+01
      3   0.241722D+01 -0.241615D+01  0.356178D+01 -0.274268D+01 -0.460752D+01
                21            22            23            24            25 
      1  -0.274268D+01 -0.829060D+00 -0.330342D+01 -0.460773D+01 -0.356998D+01
      2  -0.460752D+01 -0.330342D+01  0.401490D+01  0.142087D+01 -0.460562D+01
      3   0.253227D+01 -0.460773D+01  0.142087D+01 -0.263414D+01  0.370799D+01
                26            27            28            29            30 
      1  -0.460562D+01  0.370799D+01  0.236530D+01 -0.106065D+01 -0.329748D+01
      2   0.588154D+00 -0.151065D+01 -0.106065D+01 -0.481210D+01 -0.434170D+01
      3  -0.151065D+01  0.339018D+01 -0.329748D+01 -0.434170D+01  0.285977D+01
                31            32            33            34            35 
      1   0.487915D+00 -0.395697D+01 -0.434253D+01 -0.283424D+01 -0.434436D+01
      2  -0.395697D+01  0.958690D+00  0.123086D+01 -0.434436D+01  0.169884D+01
      3  -0.434253D+01  0.123086D+01 -0.219714D+01  0.371967D+01 -0.374530D+01
                36            37            38            39            40 
      1   0.371967D+01 -0.458088D+00  0.629914D+00 -0.423962D+01 -0.178688D+00
      2  -0.374530D+01  0.629914D+00 -0.353674D+01 -0.444469D+01 -0.419683D+01
      3   0.906437D+00 -0.423962D+01 -0.444469D+01  0.367824D+01 -0.444583D+01
                41            42            43            44            45 
      1  -0.419683D+01 -0.444583D+01 -0.273367D+01 -0.444655D+01  0.302106D+01
      2   0.380364D+01  0.542959D-01 -0.444655D+01  0.156277D+01 -0.242737D+01
      3   0.542959D-01 -0.324231D+01  0.302106D+01 -0.242737D+01  0.441353D+00
                46            47            48            49            50 
      1  -0.645809D+00  0.455763D+00 -0.653001D+00  0.691025D+00  0.306267D+00
      2   0.455763D+00 -0.552367D+00  0.111039D+01  0.306267D+00  0.189341D+01
      3  -0.653001D+00  0.111039D+01 -0.237958D+01  0.374098D+00 -0.219220D+01
                51            52            53            54            55 
      1   0.374098D+00 -0.100924D+01  0.421366D+00 -0.336773D+00  0.329207D+01
      2  -0.219220D+01  0.421366D+00 -0.207286D+01  0.264891D+01 -0.184040D+01
      3   0.287464D+01 -0.336773D+00  0.264891D+01 -0.728821D+01 -0.106664D+01
                56            57            58            59            60 
      1  -0.184040D+01 -0.106664D+01 -0.336470D+01  0.299078D+01  0.186479D+01
      2   0.215681D+01  0.106809D+01  0.299078D+01 -0.457693D+01 -0.184088D+01
      3   0.106809D+01  0.839658D+00  0.186479D+01 -0.184088D+01 -0.194051D+01
                61            62            63            64            65 
      1  -0.675304D+00  0.987284D+00  0.961661D+00  0.511164D+01  0.247711D+01
      2   0.987284D+00 -0.113132D+01 -0.907775D+00  0.247711D+01  0.244697D+01
      3   0.961661D+00 -0.907775D+00 -0.177764D+01  0.858095D+00  0.759394D+00
                66            67            68            69            70 
      1   0.858095D+00  0.315261D+01  0.295965D+01  0.699690D+00  0.263531D+01
      2   0.759394D+00  0.295965D+01  0.316717D+01  0.369414D+00  0.152849D+01
      3   0.806806D+00  0.699690D+00  0.369414D+00  0.120426D+01  0.844490D+00
                71            72            73            74            75 
      1   0.152849D+01  0.844490D+00 -0.235965D+01  0.296649D+00 -0.167549D+01
      2   0.135474D+01  0.101206D+01  0.296649D+00 -0.254929D+00  0.682111D+00
      3   0.101206D+01  0.856447D+00 -0.167549D+01  0.682111D+00 -0.224254D+01
                76            77            78            79            80 
      1   0.140142D+01 -0.373512D+00  0.148878D+01 -0.218035D+01  0.612900D+00
      2  -0.373512D+00  0.775888D+00 -0.123950D+01  0.612900D+00 -0.142290D+01
      3   0.148878D+01 -0.123950D+01  0.251987D+01 -0.304014D+01  0.913484D+00
                81            82            83            84            85 
      1  -0.304014D+01 -0.631407D+01 -0.200151D+01  0.196433D+01 -0.118136D+01
      2   0.913484D+00 -0.200151D+01 -0.135851D+01  0.877590D+00 -0.109683D+01
      3  -0.661968D+01  0.196433D+01  0.877590D+00 -0.191487D+01  0.801469D+00
                86            87            88            89            90 
      1  -0.109683D+01  0.801469D+00  0.371501D+01  0.163286D+01 -0.216135D+01
      2  -0.159040D+01  0.453364D+00  0.163286D+01  0.139839D+01 -0.669048D+00
      3   0.453364D+00 -0.306950D+00 -0.216135D+01 -0.669048D+00  0.186761D+01
                91            92            93            94            95 
      1   0.985165D+00 -0.127089D+01 -0.245208D+00 -0.140275D+01  0.117619D+01
      2  -0.127089D+01  0.319825D+01  0.129783D+01  0.117619D+01 -0.766422D+01
      3  -0.245208D+00  0.129783D+01  0.815564D+00  0.569781D+00 -0.226638D+01
                96            97            98            99           100 
      1   0.569781D+00 -0.165291D+00  0.612680D+00 -0.182444D-01 -0.208350D+01
      2  -0.226638D+01  0.612680D+00 -0.169771D+01 -0.140183D+01  0.147904D+01
      3  -0.157583D+01 -0.182444D-01 -0.140183D+01 -0.156949D+01 -0.983464D+00
               101           102           103           104           105 
      1   0.147904D+01 -0.983464D+00  0.109100D+01 -0.104601D+01  0.108741D+01
      2  -0.107872D+01  0.115760D+01 -0.104601D+01  0.310715D+01 -0.178378D+01
      3   0.115760D+01 -0.154197D+01  0.108741D+01 -0.178378D+01  0.184100D+01
               106           107           108           109           110 
      1  -0.189787D+01  0.191689D+01 -0.201245D+01  0.207216D+01  0.187254D+01
      2   0.191689D+01 -0.349446D+01  0.272401D+01  0.187254D+01  0.376615D+01
      3  -0.201245D+01  0.272401D+01 -0.417914D+01  0.134821D+01  0.175608D+01
               111           112           113           114           115 
      1   0.134821D+01  0.144014D+01  0.178333D+01  0.101951D+01  0.128171D+01
      2   0.175608D+01  0.178333D+01  0.491191D+01  0.184060D+01  0.107673D+01
      3   0.140174D+01  0.101951D+01  0.184060D+01  0.175386D+01  0.593239D+00
               116           117           118           119           120 
      1   0.107673D+01  0.593239D+00 -0.567374D+01  0.656631D+00  0.309228D+01
      2   0.228065D+01  0.218592D+01  0.656631D+00 -0.916693D+00  0.227619D-01
      3   0.218592D+01  0.209069D+01  0.309228D+01  0.227619D-01 -0.282669D+01
               121           122           123           124           125 
      1  -0.988689D+00 -0.335784D+00  0.830693D+00  0.333338D+01 -0.542717D-01
      2  -0.335784D+00 -0.260473D+00  0.415612D+00 -0.542717D-01  0.941416D+00
      3   0.830693D+00  0.415612D+00 -0.485796D+00 -0.291989D+01  0.670684D+00
               126           127           128           129           130 
      1  -0.291989D+01  0.247489D+01 -0.223268D+01  0.525520D+00 -0.239875D+01
      2   0.670684D+00 -0.223268D+01  0.295520D+01  0.160201D+00  0.313315D+01
      3   0.336528D+01  0.525520D+00  0.160201D+00  0.489548D+00  0.946531D-01
               131           132           133           134           135 
      1   0.313315D+01  0.946531D-01 -0.490011D+00  0.929198D+00  0.188845D+00
      2  -0.693125D+01  0.411974D+00  0.929198D+00 -0.141352D+01 -0.539029D+00
      3   0.411974D+00 -0.115543D+01  0.188845D+00 -0.539029D+00 -0.371737D+00
               136           137           138           139           140 
      1  -0.321811D+01 -0.102957D+01  0.278462D+01 -0.657789D+00 -0.432915D+00
      2  -0.102957D+01 -0.121700D+01  0.160532D+01 -0.432915D+00 -0.138877D+01
      3   0.278462D+01  0.160532D+01 -0.422937D+01  0.872855D+00  0.120470D+01
               141           142           143           144           145 
      1   0.872855D+00  0.213138D+01  0.925914D+00 -0.226523D+01  0.394374D+01
      2   0.120470D+01  0.925914D+00  0.107158D+01 -0.120748D+01  0.125268D+01
      3  -0.866709D+00 -0.226523D+01 -0.120748D+01  0.495083D+01  0.275087D+01
               146           147           148           149           150 
      1   0.125268D+01  0.275087D+01  0.233621D+01  0.180305D+01  0.194204D+01
      2   0.171827D+01  0.114401D+01  0.180305D+01  0.181682D+01  0.138705D+01
      3   0.114401D+01  0.233447D+01  0.194204D+01  0.138705D+01  0.276986D+01
               151           152           153 
      1   0.202040D+01  0.105619D+01  0.172010D+01
      2   0.105619D+01  0.941821D+00  0.120344D+01
      3   0.172010D+01  0.120344D+01  0.321961D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.857771D-02  0.294713D-02  0.760474D-02  0.467398D-02 -0.130331D-01
      2   0.843471D-02  0.145045D-01  0.482029D+01  0.108285D-01  0.125782D-02
      3  -0.213149D-01 -0.482135D+01 -0.510175D-02  0.481759D+01 -0.206286D-01
                 6             7             8             9            10 
      1  -0.481517D+01  0.170840D-01  0.481065D+01 -0.885981D-02  0.119741D+01
      2   0.262651D-02 -0.481311D+01 -0.450326D-02  0.436766D-02 -0.714278D+01
      3  -0.726390D-02  0.156555D-02  0.162560D-02 -0.149390D-01 -0.971389D+00
                11            12            13            14            15 
      1   0.685293D+01  0.376564D+01  0.858491D+01 -0.190565D+01 -0.433250D+01
      2  -0.631502D+01  0.328821D+01 -0.583691D+01 -0.267857D+01 -0.798682D+01
      3   0.447268D+01  0.511824D+01  0.101612D+02 -0.322845D+01 -0.590593D+01
                16            17            18            19            20 
      1   0.435665D+01  0.668118D+00  0.727789D+00 -0.329416D+01 -0.207282D+01
      2  -0.365034D+01 -0.857880D+01  0.980848D+01  0.665346D+01  0.632520D+01
      3   0.464005D+01 -0.417534D+01  0.422196D+01 -0.433190D+01 -0.730962D+01
                21            22            23            24            25 
      1   0.746331D+01 -0.315897D+01 -0.305521D+01 -0.551148D+01  0.892870D+01
      2  -0.387224D+01  0.529188D+01 -0.437408D+01 -0.158066D+01 -0.957221D+01
      3  -0.303215D+01 -0.973349D+00  0.102327D+02  0.753373D+01 -0.199632D+01
                26            27            28            29            30 
      1   0.577494D-01  0.633750D+01  0.455767D+01  0.468889D+01 -0.723720D+01
      2  -0.304985D+01 -0.229632D+01  0.115420D+01  0.472191D+01  0.478874D+00
      3   0.644683D+01 -0.587649D+01  0.461251D+01 -0.877761D+01 -0.928025D+01
                31            32            33            34            35 
      1   0.512993D+01 -0.245630D+01  0.361246D+01 -0.869997D+01  0.991173D+01
      2   0.393086D+01  0.776592D+00  0.472285D+01 -0.399394D+01  0.619186D+01
      3  -0.190729D+01 -0.712795D+01 -0.590757D+01 -0.848958D+01 -0.546548D+01
                36            37            38            39            40 
      1  -0.208438D+01 -0.244986D+01 -0.946240D+01 -0.401710D+01 -0.105496D+02
      2  -0.190537D+01 -0.669312D+00 -0.474855D+01  0.118510D+02 -0.340962D+01
      3   0.250767D+01  0.706519D+00 -0.139339D+00  0.719817D+01  0.448131D+01
                41            42            43            44            45 
      1   0.742361D+01 -0.552855D+01 -0.460547D+01  0.111390D+01 -0.498716D+01
      2   0.627442D+01  0.486238D+01  0.546437D+01  0.544962D+01 -0.561662D+01
      3   0.129557D+00  0.427469D+01  0.586316D+01  0.318513D+01 -0.843323D+00
                46            47            48            49            50 
      1  -0.300127D+00  0.913368D+00  0.847203D-01 -0.420478D+00 -0.221942D+01
      2  -0.268488D+01  0.178967D+01 -0.240722D+01  0.283470D+01 -0.247159D+01
      3  -0.139265D+01 -0.630573D-01 -0.149368D+01  0.145021D+01 -0.200580D+01
                51            52            53            54            55 
      1  -0.143061D+00 -0.440094D+00  0.419646D+01  0.715701D+00  0.250145D+01
      2   0.450958D+01 -0.526124D+01  0.436913D+01 -0.997458D+01  0.251979D+01
      3   0.286158D+01 -0.237688D+01  0.289856D+01 -0.394424D+01  0.267312D+01
                56            57            58            59            60 
      1  -0.387579D+01 -0.718536D+00 -0.362069D+01  0.695091D+01  0.371455D-01
      2  -0.527559D+00  0.167628D+01 -0.202232D+01  0.923076D+00 -0.192455D+01
      3  -0.582406D+01 -0.195266D+01 -0.248490D+01  0.908824D+01  0.270247D+01
                61            62            63            64            65 
      1  -0.157448D+01  0.290169D+01  0.939404D+00 -0.323109D+01 -0.294254D+01
      2  -0.827080D+00  0.124760D+00 -0.164074D+01  0.626445D+01  0.418144D+01
      3  -0.140120D+01  0.279651D+01  0.147669D+01 -0.454570D+00 -0.484188D+01
                66            67            68            69            70 
      1  -0.261681D+01 -0.333751D+01 -0.305936D+01 -0.305749D+01 -0.174063D+01
      2   0.478234D+01  0.422712D+01  0.386290D+01  0.431717D+01  0.233745D+01
      3  -0.968998D+00 -0.830714D+00 -0.426407D+01 -0.496345D+00 -0.232859D+00
                71            72            73            74            75 
      1  -0.815504D+00 -0.228836D+01 -0.202430D+01  0.210206D+01 -0.331424D+01
      2   0.290463D+01  0.319359D+01 -0.835005D+00 -0.694867D+00  0.291310D+01
      3  -0.210489D+01 -0.117597D+01  0.240747D+01 -0.207697D+01  0.269496D+01
                76            77            78            79            80 
      1   0.149377D+01 -0.313887D+01  0.251678D+01 -0.371361D+01  0.562271D+01
      2   0.522469D+00  0.125585D+01 -0.215511D+01 -0.108725D+01 -0.937856D+00
      3  -0.486542D+00  0.197906D+01 -0.273664D+01  0.262091D+01 -0.394352D+01
                81            82            83            84            85 
      1  -0.752370D+01  0.400465D+01  0.116984D+01 -0.408704D+01  0.179048D+01
      2   0.616629D+01 -0.651317D+01 -0.253990D+01  0.712700D+01 -0.207106D+01
      3   0.466917D+01  0.522979D+01 -0.201403D+01 -0.144660D+01  0.147624D+01
                86            87            88            89            90 
      1   0.125961D+01 -0.178540D+01 -0.336904D+01  0.708100D-02  0.330811D+01
      2  -0.128209D+01  0.177667D+01  0.370123D+01  0.159391D+01 -0.554525D+01
      3  -0.112135D+01 -0.536320D+00 -0.269098D+01  0.129489D+01  0.178722D+01
                91            92            93            94            95 
      1   0.869797D+00 -0.149125D+01  0.963965D+00 -0.580111D+00  0.447807D+01
      2   0.162836D+01 -0.221335D+01  0.181416D+00 -0.302130D+01  0.380907D+01
      3  -0.393639D+01  0.353057D+01  0.135172D+01  0.675066D+01 -0.965216D+01
                96            97            98            99           100 
      1  -0.283953D+01 -0.604509D+00  0.122169D+01 -0.122867D+01  0.200030D+01
      2   0.173023D+01 -0.123787D+01  0.194463D+01  0.132866D+01  0.865709D+00
      3  -0.321564D+01  0.178303D+01 -0.291930D+01 -0.137127D+01 -0.230764D+01
               101           102           103           104           105 
      1  -0.179052D+01  0.403972D+01 -0.237803D+01  0.317170D+01 -0.579378D+01
      2  -0.160337D+01  0.318744D+01 -0.752782D+00  0.204757D+01 -0.304658D+01
      3  -0.161614D+00 -0.367189D+00  0.249131D+01  0.142929D+01  0.347058D+00
               106           107           108           109           110 
      1   0.360054D+01 -0.278148D+01  0.932012D+01 -0.132974D+01 -0.710358D-01
      2   0.151085D+00 -0.276450D+01  0.564714D+01 -0.304075D+01 -0.207391D+01
      3  -0.253002D+01 -0.101378D+01 -0.839630D+00  0.634263D+01  0.371657D+01
               111           112           113           114           115 
      1  -0.257343D+01 -0.983142D+00  0.119737D+00 -0.411713D+01 -0.465158D+00
      2  -0.240700D+00 -0.270310D+01 -0.248876D+01 -0.136111D+01 -0.264538D+01
      3   0.339454D+01  0.652042D+01  0.600395D+01  0.345757D+01  0.439436D+01
               116           117           118           119           120 
      1  -0.626029D+00 -0.289408D+01 -0.460843D+01 -0.218427D+01  0.477169D+01
      2  -0.211004D+01 -0.123260D+01  0.116850D+01 -0.388791D+00  0.350231D+01
      3   0.316523D+01  0.260689D+01 -0.796962D+01 -0.289397D+01  0.497545D+01
               121           122           123           124           125 
      1  -0.106499D+01 -0.119586D+01 -0.597664D-01  0.434601D+01  0.178054D+01
      2   0.702395D-01 -0.234266D+00  0.334936D+00 -0.953627D+00 -0.441467D+00
      3  -0.500163D+00 -0.131270D+01  0.129662D+01  0.546473D+01  0.257388D+01
               126           127           128           129           130 
      1  -0.458827D+01 -0.277711D+01  0.498172D+01  0.213629D+01  0.483540D+01
      2  -0.274540D+01 -0.295583D+01  0.329586D+01  0.131352D+01  0.376730D+01
      3  -0.393099D+01 -0.158531D+01 -0.175620D+01 -0.548647D+00  0.268636D+01
               131           132           133           134           135 
      1  -0.987512D+01 -0.397843D+01  0.116158D+01 -0.123950D+01 -0.184280D+01
      2  -0.462919D+01 -0.252211D+01 -0.196684D+00 -0.138357D+01 -0.974235D+00
      3   0.308038D+01 -0.223754D+00  0.294542D+00  0.408382D+00  0.226140D+00
               136           137           138           139           140 
      1   0.764724D+00 -0.202236D+01 -0.151819D+01  0.253459D+00 -0.145130D+01
      2   0.848064D+01  0.213841D+01 -0.426940D+01  0.233776D+01  0.115990D+01
      3   0.400638D+01 -0.541620D+00 -0.289941D+01  0.182023D+01  0.634089D+00
               141           142           143           144           145 
      1  -0.247085D+00 -0.451780D+00  0.279816D+01  0.251584D+01  0.412740D+01
      2  -0.183835D+01 -0.755726D+01 -0.223918D+01  0.549254D+01 -0.490111D+01
      3  -0.138145D+01 -0.326501D+01 -0.480891D+00  0.270550D+01 -0.300760D+01
               146           147           148           149           150 
      1   0.520123D+01  0.284962D+01  0.400017D+01  0.496627D+01  0.207526D+01
      2  -0.136151D+01 -0.364434D+00 -0.317607D+01 -0.195211D+01  0.158854D+00
      3  -0.446682D+01 -0.273852D+01 -0.150366D+01 -0.384428D+01 -0.206214D+01
               151           152           153 
      1   0.325416D+01  0.434037D+01  0.358194D+01
      2  -0.382711D+01 -0.106869D+01  0.289387D+00
      3  -0.207950D+01 -0.266783D+01 -0.220439D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.509499D+01 -0.340482D+01  0.309527D+01 -0.340533D+01 -0.204953D+01
      2  -0.207026D+01  0.364584D+01 -0.145157D+01  0.364464D+01  0.199553D+01
      3  -0.302473D+01 -0.241024D+00 -0.164370D+01 -0.239308D+00  0.540005D-01
      4  -0.342109D+01 -0.260266D+01 -0.978520D+00 -0.260257D+01  0.366050D+01
      5   0.308605D+01 -0.986084D+00 -0.356475D+01 -0.982455D+00 -0.144760D+01
      6  -0.983803D+00 -0.144741D+01 -0.251278D+00 -0.144730D+01 -0.424771D+01
                 6             7             8             9            10 
      1  -0.975769D+00  0.311121D+01 -0.960774D+00 -0.303500D+01 -0.605247D+01
      2  -0.423200D+01 -0.144633D+01 -0.422375D+01  0.613218D-01 -0.402397D+01
      3   0.520777D+01 -0.166488D+01  0.518452D+01  0.297368D+01  0.100764D+02
      4  -0.144518D+01 -0.961105D+00 -0.144964D+01 -0.259797D+00 -0.142856D+01
      5  -0.243157D+00 -0.357184D+01 -0.241178D+00 -0.165449D+01 -0.626030D+01
      6  -0.483387D+00 -0.254986D+00 -0.489966D+00  0.519642D+01 -0.442013D+01
                11            12            13            14            15 
      1  -0.443899D+01 -0.256465D+01 -0.467654D+01 -0.865582D+01 -0.150035D+02
      2  -0.665474D+01  0.369944D+01 -0.556688D+01  0.544106D+01  0.182964D+01
      3   0.110937D+02 -0.113479D+01  0.102434D+02  0.321477D+01  0.131739D+02
      4  -0.133973D+02 -0.106421D+02 -0.141633D+02  0.252592D+01  0.179732D+01
      5  -0.920481D+01  0.644319D+01 -0.100104D+02  0.716665D+01  0.309571D+01
      6   0.464501D+01  0.904040D+01  0.502932D+01 -0.391389D+01 -0.736889D+01
                16            17            18            19            20 
      1  -0.272804D+01 -0.152489D+02  0.147032D+02 -0.939903D+01 -0.935836D+01
      2   0.315830D+01  0.257314D+01 -0.141825D+01  0.290488D+01  0.633621D+01
      3  -0.430262D+00  0.126758D+02 -0.132849D+02  0.649415D+01  0.302215D+01
      4  -0.116956D+02  0.881442D+00 -0.107228D+01 -0.420206D+01  0.177528D+01
      5   0.665686D+01  0.249224D+01 -0.906615D+00  0.544340D+01  0.770634D+01
      6   0.758866D+01 -0.747142D+01  0.835124D+01  0.702121D+01  0.113591D+02
                21            22            23            24            25 
      1   0.579878D+01 -0.955895D+01  0.147595D+02  0.985266D+01  0.633654D+01
      2   0.930088D+01  0.534941D+01 -0.150746D+02 -0.116032D+02  0.841425D+01
      3  -0.150997D+02  0.420954D+01  0.315144D+00  0.175054D+01 -0.147508D+02
      4   0.116816D+02  0.267286D+01  0.339173D+01  0.507132D+01  0.124658D+02
      5  -0.631618D+01  0.783183D+01  0.438119D+01  0.847429D+01 -0.738697D+01
      6   0.179159D+00  0.103503D+02 -0.793779D+01 -0.172992D+01  0.254293D+00
                26            27            28            29            30 
      1   0.105189D+02 -0.536624D+01 -0.352782D+01  0.751708D+01  0.115693D+02
      2  -0.117554D+02  0.121649D+02  0.539515D+01 -0.966197D+01 -0.178779D+02
      3   0.123651D+01 -0.679865D+01 -0.186733D+01  0.214489D+01  0.630862D+01
      4   0.519789D+01  0.793782D+00  0.265898D+01 -0.595088D+00 -0.224295D+01
      5   0.735464D+01 -0.982793D+01  0.705737D+01  0.325590D+01 -0.109443D+02
      6  -0.947615D+00  0.921380D+00 -0.566492D+01 -0.140714D+02  0.468626D+01
                31            32            33            34            35 
      1   0.767115D+01  0.568923D+01  0.615518D+01  0.121170D+02  0.523044D+01
      2  -0.930917D+01 -0.238383D+01 -0.589219D-01 -0.177209D+02 -0.139106D+00
      3   0.163802D+01 -0.330539D+01 -0.609626D+01  0.560395D+01 -0.509133D+01
      4  -0.190301D+00 -0.111423D+02 -0.121593D+02 -0.166112D+01 -0.129913D+02
      5   0.476255D+01 -0.722247D+01  0.114425D+01 -0.110747D+02  0.221203D+01
      6  -0.130858D+02  0.261026D+01 -0.959241D+01  0.524336D+01 -0.100615D+02
                36            37            38            39            40 
      1  -0.215122D+01  0.311325D+01  0.184641D+01 -0.107485D+02  0.213328D+01
      2  -0.301462D+01  0.428906D+01  0.147664D+02  0.299572D+01  0.143130D+02
      3   0.516583D+01 -0.740231D+01 -0.166128D+02  0.775278D+01 -0.164463D+02
      4   0.848962D+01 -0.145520D+01 -0.802512D+01 -0.559115D-01 -0.855005D+01
      5   0.165797D+00 -0.219128D+01 -0.301041D+01 -0.106938D+02 -0.384141D+01
      6   0.306080D+01  0.181346D+01 -0.382188D+01 -0.142355D+02 -0.417370D+01
                41            42            43            44            45 
      1  -0.323410D+01 -0.228194D+01 -0.116855D+02 -0.179195D+01  0.123932D+00
      2  -0.787572D+01  0.433066D+01  0.425647D+01  0.381840D+01  0.359141D+01
      3   0.111098D+02 -0.204872D+01  0.742902D+01 -0.202644D+01 -0.371535D+01
      4   0.998807D+01  0.340573D+01 -0.389008D+00  0.502179D+01 -0.852506D+01
      5  -0.619486D+01 -0.130597D+02 -0.968555D+01 -0.123981D+02  0.840253D+01
      6   0.375057D+01  0.122775D+01 -0.134168D+02  0.101470D+01 -0.555266D+01
                46            47            48            49            50 
      1  -0.131536D+01  0.338620D+01 -0.587099D+01  0.300911D+01 -0.609170D+01
      2  -0.609187D+00 -0.106490D+01 -0.153715D+01 -0.853272D+00  0.242755D+01
      3   0.192455D+01 -0.232129D+01  0.740814D+01 -0.215584D+01  0.366414D+01
      4  -0.746440D+00  0.232977D+01 -0.241380D+00  0.387497D+01  0.238585D+01
      5   0.286859D+01 -0.795673D+00  0.315053D+01 -0.159755D+01 -0.288373D+01
      6  -0.190918D+01  0.295920D+01 -0.395474D+01  0.147795D+00 -0.905577D+01
                51            52            53            54            55 
      1   0.988461D+01 -0.446246D+01  0.955740D+01 -0.205851D+02  0.133167D+02
      2  -0.947927D-02  0.128872D+01 -0.212989D+00 -0.105951D+02 -0.753048D+01
      3  -0.987513D+01  0.317373D+01 -0.934441D+01  0.311801D+02 -0.578619D+01
      4  -0.298776D+01 -0.621616D+00 -0.363332D+01  0.386097D+01 -0.807295D+01
      5   0.386712D+01  0.558663D+01  0.323718D+01 -0.965233D+01 -0.991014D+01
      6   0.121498D+02 -0.137134D+01  0.119057D+02 -0.160010D+02  0.486428D+01
                56            57            58            59            60 
      1  -0.606002D+01 -0.318828D+01 -0.906852D+01  0.319239D+01  0.149010D+01
      2   0.484773D+01  0.406134D+01  0.605549D+01  0.639828D+00 -0.400100D+01
      3   0.121228D+01 -0.873060D+00  0.301303D+01 -0.383222D+01  0.251090D+01
      4   0.109669D+02  0.424561D+01  0.124655D+02 -0.158528D+02 -0.526896D+01
      5   0.699363D+01  0.725239D+01  0.103193D+02 -0.794747D+01 -0.890195D+01
      6  -0.549890D+01 -0.350655D+01 -0.661417D+01  0.121923D+02  0.765758D+01
                61            62            63            64            65 
      1  -0.193043D+01  0.194565D+01 -0.131424D+01  0.230283D+02  0.951697D+01
      2   0.375443D+01 -0.300562D+01 -0.384743D+01 -0.642376D+01  0.909355D+00
      3  -0.182399D+01  0.105997D+01  0.516167D+01 -0.166046D+02 -0.104263D+02
      4   0.371811D+01 -0.371533D+01 -0.352403D+01  0.153665D+02  0.139134D+02
      5   0.706080D+01 -0.562421D+01 -0.695757D+01 -0.196268D+01 -0.350668D-02
      6  -0.391621D+01  0.676469D+01  0.305398D+01 -0.163771D+01 -0.298040D+01
                66            67            68            69            70 
      1   0.420042D+01  0.108633D+02  0.521440D+01  0.332518D+01  0.831115D+01
      2  -0.405671D-01  0.780764D+00  0.581957D+01  0.178327D+01 -0.208587D+01
      3  -0.415985D+01 -0.116441D+02 -0.110340D+02 -0.510846D+01 -0.622529D+01
      4   0.359213D+01  0.152557D+02  0.141767D+02  0.224502D+01  0.635720D+01
      5   0.478305D+01 -0.882668D+00 -0.112879D+01  0.365724D+01  0.365008D+01
      6   0.343141D+00 -0.270200D+01 -0.191293D+01  0.350838D+01  0.584970D+00
                71            72            73            74            75 
      1   0.340638D+01  0.129061D+01  0.748408D+01 -0.491826D+00  0.349758D+01
      2   0.218526D+01 -0.300639D+00 -0.820149D+01  0.175520D+01 -0.900555D+01
      3  -0.559163D+01 -0.989971D+00  0.717407D+00 -0.126337D+01  0.550797D+01
      4   0.546243D+01  0.366913D+01  0.151958D+01  0.303889D+01 -0.632552D+00
      5   0.266557D+01  0.442742D+01  0.999761D+01 -0.289836D+01  0.131250D+02
      6   0.232292D+01  0.112150D+01  0.298303D+00  0.206317D+00  0.218086D+01
                76            77            78            79            80 
      1  -0.258508D+01 -0.164476D+01 -0.474944D+00  0.381570D+01 -0.184242D+01
      2   0.353608D+01 -0.672879D+00  0.725005D+01 -0.103690D+02  0.611722D+01
      3  -0.950995D+00  0.231764D+01 -0.677511D+01  0.655328D+01 -0.427481D+01
      4   0.221658D+01 -0.356898D+01  0.284181D+01  0.339436D+00  0.380507D+01
      5  -0.581907D+01  0.320388D+01 -0.693900D+01  0.147839D+02 -0.337300D+01
      6   0.614194D+00 -0.244290D+01  0.354563D+01  0.229821D+01  0.497382D+01
                81            82            83            84            85 
      1  -0.329850D+01  0.266436D+02  0.603090D+01 -0.820308D+01  0.433960D+01
      2  -0.194971D+02 -0.822606D+01  0.130243D+01  0.584432D+00  0.175810D+01
      3   0.227956D+02 -0.184176D+02 -0.733333D+01  0.761864D+01 -0.609770D+01
      4  -0.170150D-01  0.176610D+02  0.108316D+02 -0.603134D+01  0.952308D+01
      5   0.215704D+02 -0.393300D+01 -0.141530D+01  0.762627D+01 -0.118730D+01
      6   0.447178D+01 -0.392802D+01 -0.195721D+01  0.461712D+01 -0.250244D+01
                86            87            88            89            90 
      1   0.727933D+00 -0.206921D+01 -0.118418D+02 -0.212831D+01  0.497870D+01
      2   0.452498D+01 -0.945512D-01  0.253467D+01 -0.167287D+01 -0.323400D+01
      3  -0.525292D+01  0.216376D+01  0.930710D+01  0.380118D+01 -0.174470D+01
      4   0.665766D+01 -0.403274D+01 -0.941868D+01 -0.707517D+01  0.463026D+01
      5  -0.178575D+01  0.517476D+00  0.740508D+01  0.155611D+01 -0.666515D+01
      6  -0.202690D+00  0.328383D+01  0.444571D+01  0.318620D+01 -0.568469D+01
                91            92            93            94            95 
      1  -0.161397D+01  0.836590D+01  0.255060D+01  0.673460D+01 -0.226145D+02
      2   0.355963D+01 -0.103665D+02 -0.207567D+01 -0.613002D+01  0.330130D+02
      3  -0.194566D+01  0.200056D+01 -0.474932D+00 -0.604575D+00 -0.103984D+02
      4  -0.375549D+01  0.411593D+01  0.263527D+00  0.570910D+01  0.454822D+01
      5  -0.301755D+01  0.180418D+01  0.214808D+01  0.240581D+01 -0.268288D+00
      6   0.220627D+01 -0.634090D+01 -0.463803D+01 -0.324269D+01  0.181575D+02
                96            97            98            99           100 
      1  -0.826163D+01  0.124874D+01 -0.742554D+01 -0.491001D+01  0.460783D+01
      2   0.730501D+01 -0.188054D+01  0.619206D+01  0.190962D+01  0.314523D+00
      3   0.956619D+00  0.631797D+00  0.123348D+01  0.300039D+01 -0.492236D+01
      4   0.122764D+01 -0.173364D-02  0.112640D+01  0.341772D+00 -0.889978D+01
      5   0.571388D+00  0.313119D+01 -0.241149D+00  0.162204D+01  0.339416D+01
      6   0.112915D+02 -0.184993D+01  0.104866D+02  0.691887D+01 -0.354681D+01
               101           102           103           104           105 
      1  -0.180978D+01  0.106806D+01 -0.104057D+01 -0.573562D+01  0.153537D+01
      2  -0.320102D+01  0.276827D+01 -0.366612D+01  0.139874D+02 -0.669223D+01
      3   0.501080D+01 -0.383633D+01  0.470669D+01 -0.825179D+01  0.515687D+01
      4   0.890178D+01 -0.546969D+01  0.805662D+01 -0.918943D+01  0.706332D+01
      5  -0.316728D+01  0.693400D+01 -0.257061D+01  0.420922D+01 -0.374279D+01
      6   0.463249D+01 -0.539678D+01  0.482523D+01 -0.785093D+01  0.101534D+02
               106           107           108           109           110 
      1   0.210588D+01  0.374065D+01 -0.266511D+01 -0.240835D+01 -0.886735D+01
      2   0.259177D+01 -0.104591D+02  0.311100D+01  0.409829D+01  0.132304D+02
      3  -0.469765D+01  0.671841D+01 -0.445889D+00 -0.168994D+01 -0.436307D+01
      4  -0.869378D+01  0.102475D+02 -0.795054D+01  0.896583D+01  0.753994D+01
      5   0.730670D+01 -0.502134D+01  0.936307D+01  0.296670D+01  0.185971D+01
      6  -0.626385D+01  0.117841D+02 -0.157970D+02  0.535536D+01  0.856770D+01
               111           112           113           114           115 
      1  -0.562310D+01 -0.658264D+01 -0.160641D+02 -0.806923D+01 -0.495575D+01
      2   0.425753D+01  0.829628D+01  0.242451D+02  0.780673D+01  0.402122D+01
      3   0.136557D+01 -0.171365D+01 -0.818099D+01  0.262496D+00  0.934539D+00
      4   0.400631D+01  0.735603D+01  0.497499D+01  0.309795D+01  0.422643D+01
      5   0.371457D+01  0.122751D+01  0.155804D+01 -0.123845D-01  0.431202D+01
      6   0.679208D+01  0.581997D+01  0.130466D+02  0.111214D+02  0.371914D+01
               116           117           118           119           120 
      1  -0.892258D+01 -0.718067D+01  0.189682D+02  0.397064D+00 -0.763395D+01
      2   0.864126D+01  0.406070D+01 -0.137254D+02 -0.261803D+01  0.100376D+02
      3   0.281316D+00  0.311997D+01 -0.524282D+01  0.222097D+01 -0.240360D+01
      4   0.280244D+01  0.144511D+01 -0.121708D+02  0.643072D+01  0.647365D+01
      5   0.471218D+00  0.121359D+01 -0.161098D+02  0.942047D+00  0.136655D+02
      6   0.122794D+02  0.100703D+02  0.687052D+01 -0.165428D+01 -0.700299D+01
               121           122           123           124           125 
      1   0.281940D+01  0.537012D+00 -0.128947D+01 -0.814845D+01 -0.182194D+01
      2  -0.314528D+01 -0.335701D+00  0.306180D+01  0.103179D+02  0.302847D+01
      3   0.325876D+00 -0.201311D+00 -0.177233D+01 -0.216947D+01 -0.120653D+01
      4   0.360362D+01  0.903252D+00 -0.124046D+01  0.744134D+01 -0.255088D+01
      5  -0.187590D+01 -0.185290D+01  0.156326D+01  0.139206D+02 -0.139249D+01
      6  -0.816176D+00 -0.636978D-01  0.299895D+01 -0.635971D+01  0.522766D+01
               126           127           128           129           130 
      1   0.194560D+01  0.491724D+01 -0.211912D+01 -0.219603D+00 -0.233386D+01
      2  -0.874440D+01  0.165014D+01 -0.742758D+01 -0.129696D+01 -0.750549D+01
      3   0.679880D+01 -0.656738D+01  0.954670D+01  0.151656D+01  0.983935D+01
      4  -0.616525D+01 -0.104669D+02  0.129350D+02 -0.464761D+00  0.133658D+02
      5  -0.131651D+02  0.480021D+01 -0.379318D+01  0.456468D+01 -0.484505D+01
      6   0.709458D+01 -0.413476D+01  0.643481D+01 -0.122787D+01  0.619254D+01
               131           132           133           134           135 
      1  -0.637316D+01  0.270757D+01 -0.112131D+01  0.476336D+00 -0.703102D+00
      2   0.237998D+02  0.129708D+01 -0.102541D+01  0.402826D+01  0.133730D+01
      3  -0.174266D+02 -0.400466D+01  0.214671D+01 -0.450460D+01 -0.634202D+00
      4  -0.182331D+02  0.541226D+00  0.227746D+01 -0.250974D+01 -0.162139D+01
      5   0.585713D+01 -0.209518D+01  0.263247D+01 -0.974968D+00 -0.115298D+01
      6  -0.135899D+02  0.628847D+01 -0.541667D+00  0.340500D+01  0.936840D+00
               136           137           138           139           140 
      1  -0.224005D+01 -0.367648D+01  0.927064D+01 -0.264101D+01 -0.362901D+01
      2  -0.429188D+01  0.445784D+00  0.547051D+01 -0.385596D+00  0.249031D+01
      3   0.653192D+01  0.323069D+01 -0.147411D+02  0.302661D+01  0.113869D+01
      4   0.647987D+01  0.452237D+01 -0.414977D+01  0.457478D+01  0.760291D+00
      5  -0.127123D+02 -0.297967D+01  0.114181D+02 -0.203823D+01 -0.195598D+01
      6  -0.525174D+01 -0.679233D+01  0.920167D+01 -0.375539D+01 -0.616106D+01
               141           142           143           144           145 
      1   0.485224D+01  0.735587D+01  0.520313D+01 -0.141880D+02  0.996452D+01
      2  -0.124149D+01  0.269533D+01 -0.530139D+00 -0.966946D+01 -0.124000D+02
      3  -0.361076D+01 -0.100512D+02 -0.467299D+01  0.238574D+02  0.243553D+01
      4  -0.236734D+01 -0.360671D+01 -0.189223D+01  0.397168D+01  0.196759D+01
      5   0.297860D+01  0.104433D+02  0.327949D+01 -0.872550D+01  0.164833D+02
      6   0.814164D+01  0.625146D+01  0.807463D+01 -0.113837D+02  0.304767D+01
               146           147           148           149           150 
      1   0.316635D+01  0.300197D+01  0.432196D+01  0.681497D+00 -0.137702D+01
      2  -0.624476D+01 -0.989054D+01 -0.717181D+01 -0.146054D+01 -0.673178D+01
      3   0.307840D+01  0.688856D+01  0.284985D+01  0.779040D+00  0.810880D+01
      4   0.525420D+01  0.645862D+00  0.476799D+01  0.401367D+01  0.221080D+01
      5   0.569216D+01  0.146298D+02  0.910367D+01  0.631173D+01  0.912486D+01
      6   0.576005D+01  0.317310D+01  0.536067D+01  0.762179D+01  0.574241D+01
               151           152           153 
      1   0.247138D+01  0.637228D-01 -0.293565D+01
      2  -0.850524D+01 -0.458493D+01 -0.112060D+02
      3   0.603387D+01  0.452121D+01  0.141416D+02
      4   0.223628D+00  0.127260D+01  0.193303D+01
      5   0.127656D+02  0.599810D+01  0.119431D+02
      6   0.358880D+01  0.548071D+01  0.322113D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:56:19 2022, MaxMem=  5368709120 cpu:            3583.0 elap:             448.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19221 -10.16863 -10.16863 -10.16863 -10.16859
 Alpha  occ. eigenvalues --   -0.82407  -0.68601  -0.68601  -0.68600  -0.53441
 Alpha  occ. eigenvalues --   -0.44963  -0.44963  -0.44963  -0.40180  -0.40180
 Alpha  occ. eigenvalues --   -0.36410  -0.36410  -0.36410  -0.32240  -0.32240
 Alpha  occ. eigenvalues --   -0.32239
 Alpha virt. eigenvalues --   -0.01231   0.01247   0.01247   0.01247   0.03187
 Alpha virt. eigenvalues --    0.03187   0.03187   0.04117   0.04117   0.05957
 Alpha virt. eigenvalues --    0.06862   0.06862   0.06862   0.09082   0.09082
 Alpha virt. eigenvalues --    0.09082   0.11016   0.11100   0.11100   0.11100
 Alpha virt. eigenvalues --    0.12784   0.12784   0.12784   0.13292   0.13293
 Alpha virt. eigenvalues --    0.15053   0.15053   0.15053   0.16308   0.16308
 Alpha virt. eigenvalues --    0.16308   0.16517   0.16895   0.16896   0.22605
 Alpha virt. eigenvalues --    0.22605   0.22606   0.23941   0.23942   0.23942
 Alpha virt. eigenvalues --    0.26423   0.26424   0.26424   0.30907   0.30908
 Alpha virt. eigenvalues --    0.30908   0.31623   0.35863   0.35864   0.36491
 Alpha virt. eigenvalues --    0.36491   0.36492   0.37019   0.37019   0.37020
 Alpha virt. eigenvalues --    0.38553   0.38553   0.38553   0.38671   0.42699
 Alpha virt. eigenvalues --    0.42700   0.44512   0.45108   0.45108   0.45108
 Alpha virt. eigenvalues --    0.46174   0.46174   0.46175   0.46669   0.46670
 Alpha virt. eigenvalues --    0.51671   0.52299   0.52299   0.52299   0.53930
 Alpha virt. eigenvalues --    0.53931   0.53931   0.57981   0.57981   0.57981
 Alpha virt. eigenvalues --    0.59031   0.59031   0.59032   0.59672   0.61071
 Alpha virt. eigenvalues --    0.63213   0.63214   0.63215   0.67492   0.67492
 Alpha virt. eigenvalues --    0.67492   0.69673   0.69673   0.76540   0.76540
 Alpha virt. eigenvalues --    0.76541   0.77055   0.77056   0.77057   0.77282
 Alpha virt. eigenvalues --    0.77282   0.79592   0.79593   0.79593   0.83539
 Alpha virt. eigenvalues --    0.83540   0.83541   0.86958   0.90720   0.90721
 Alpha virt. eigenvalues --    0.90722   0.91828   0.91829   1.02763   1.02766
 Alpha virt. eigenvalues --    1.04163   1.04164   1.04165   1.13615   1.14993
 Alpha virt. eigenvalues --    1.14995   1.14995   1.18734   1.18735   1.18735
 Alpha virt. eigenvalues --    1.33970   1.33971   1.33972   1.38757   1.38758
 Alpha virt. eigenvalues --    1.38758   1.47369   1.47370   1.47371   1.54671
 Alpha virt. eigenvalues --    1.54672   1.56804   1.57333   1.57335   1.57336
 Alpha virt. eigenvalues --    1.60615   1.60618   1.67390   1.75980   1.75983
 Alpha virt. eigenvalues --    1.75983   1.80316   1.80316   1.80316   1.81907
 Alpha virt. eigenvalues --    1.81909   1.83163   1.83167   1.83169   1.90807
 Alpha virt. eigenvalues --    1.90807   1.90809   2.01137   2.01138   2.01138
 Alpha virt. eigenvalues --    2.01963   2.03872   2.03875   2.03875   2.06775
 Alpha virt. eigenvalues --    2.06777   2.10042   2.10047   2.10049   2.23822
 Alpha virt. eigenvalues --    2.23823   2.23825   2.24880   2.24884   2.30338
 Alpha virt. eigenvalues --    2.33257   2.33258   2.33259   2.35308   2.35310
 Alpha virt. eigenvalues --    2.35311   2.45442   2.45443   2.54300   2.54570
 Alpha virt. eigenvalues --    2.54572   2.54573   2.60790   2.60792   2.60793
 Alpha virt. eigenvalues --    2.68536   2.68540   2.68541   2.76023   2.76023
 Alpha virt. eigenvalues --    2.76024   2.93600   3.00830   3.00835   3.21336
 Alpha virt. eigenvalues --    3.21340   3.21343
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   12.047500  -0.820089  -0.820121  -0.820110  -0.819951   0.116385
     2  C   -0.820089   5.198871  -0.098924  -0.098995  -0.098729   0.001615
     3  C   -0.820121  -0.098924   5.198835  -0.098873  -0.098828   0.036836
     4  C   -0.820110  -0.098995  -0.098873   5.198951  -0.098886   0.036857
     5  C   -0.819951  -0.098729  -0.098828  -0.098886   5.198458  -0.051028
     6  H    0.116385   0.001615   0.036836   0.036857  -0.051028   2.421754
     7  H    0.116861   0.001278   0.036794  -0.051087   0.036804  -0.604012
     8  H    0.117013   0.001327  -0.051077   0.036772   0.036758  -0.604010
     9  H    0.116711   0.036247   0.001449   0.037360  -0.051049  -0.092400
    10  H    0.116906  -0.051062   0.001381   0.036262   0.037278   0.030796
    11  H    0.116666   0.037349   0.001370  -0.051076   0.036303   0.009469
    12  H    0.117044   0.036926   0.036674   0.001149  -0.051066  -0.092415
    13  H    0.116480   0.036686  -0.051062   0.001520   0.036980   0.009439
    14  H    0.116709  -0.051078   0.036940   0.001473   0.036656   0.030812
    15  H    0.116614   0.036551   0.036994  -0.051035   0.001562   0.030811
    16  H    0.116876  -0.051062   0.036563   0.037026   0.001307  -0.043613
    17  H    0.116940   0.037048  -0.051051   0.036501   0.001312   0.030823
               7          8          9         10         11         12
     1  C    0.116861   0.117013   0.116711   0.116906   0.116666   0.117044
     2  C    0.001278   0.001327   0.036247  -0.051062   0.037349   0.036926
     3  C    0.036794  -0.051077   0.001449   0.001381   0.001370   0.036674
     4  C   -0.051087   0.036772   0.037360   0.036262  -0.051076   0.001149
     5  C    0.036804   0.036758  -0.051049   0.037278   0.036303  -0.051066
     6  H   -0.604012  -0.604010  -0.092400   0.030796   0.009469  -0.092415
     7  H    2.421480  -0.603838   0.009404   0.030813  -0.092405   0.030810
     8  H   -0.603838   2.421354   0.030801  -0.043610   0.030807   0.009443
     9  H    0.009404   0.030801   2.421677  -0.604000  -0.604008  -0.092422
    10  H    0.030813  -0.043610  -0.604000   2.421536  -0.603918   0.009390
    11  H   -0.092405   0.030807  -0.604008  -0.603918   2.421588   0.030825
    12  H    0.030810   0.009443  -0.092422   0.009390   0.030825   2.421413
    13  H    0.030795  -0.092402   0.030813   0.030803  -0.043610  -0.604018
    14  H   -0.043610   0.030801   0.009470  -0.092408   0.030793  -0.603960
    15  H   -0.092430   0.009400   0.030801   0.009469  -0.092428  -0.043614
    16  H    0.030812   0.030819   0.030824  -0.092433   0.009377   0.030809
    17  H    0.009426  -0.092432  -0.043615   0.030813   0.030819   0.030805
              13         14         15         16         17
     1  C    0.116480   0.116709   0.116614   0.116876   0.116940
     2  C    0.036686  -0.051078   0.036551  -0.051062   0.037048
     3  C   -0.051062   0.036940   0.036994   0.036563  -0.051051
     4  C    0.001520   0.001473  -0.051035   0.037026   0.036501
     5  C    0.036980   0.036656   0.001562   0.001307   0.001312
     6  H    0.009439   0.030812   0.030811  -0.043613   0.030823
     7  H    0.030795  -0.043610  -0.092430   0.030812   0.009426
     8  H   -0.092402   0.030801   0.009400   0.030819  -0.092432
     9  H    0.030813   0.009470   0.030801   0.030824  -0.043615
    10  H    0.030803  -0.092408   0.009469  -0.092433   0.030813
    11  H   -0.043610   0.030793  -0.092428   0.009377   0.030819
    12  H   -0.604018  -0.603960  -0.043614   0.030809   0.030805
    13  H    2.421746  -0.603947   0.030816   0.009454  -0.092434
    14  H   -0.603947   2.421588   0.030822  -0.092439   0.009411
    15  H    0.030816   0.030822   2.421915  -0.604013  -0.604001
    16  H    0.009454  -0.092439  -0.604013   2.421677  -0.604040
    17  H   -0.092434   0.009411  -0.604001  -0.604040   2.421685
 Mulliken charges:
               1
     1  C   -4.168435
     2  C    1.846037
     3  C    1.846102
     4  C    1.846191
     5  C    1.846120
     6  H   -0.268121
     7  H   -0.267895
     8  H   -0.267927
     9  H   -0.268062
    10  H   -0.268019
    11  H   -0.267920
    12  H   -0.267792
    13  H   -0.268058
    14  H   -0.268033
    15  H   -0.268232
    16  H   -0.267945
    17  H   -0.268010
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.168435
     2  C    1.042094
     3  C    1.042101
     4  C    1.042307
     5  C    1.041933
 Electronic spatial extent (au):  <R**2>=            485.3355
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -36.0645   YY=            -36.0644   ZZ=            -36.0644
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0001   ZZ=              0.0000
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3954  YYY=             -1.1041  ZZZ=             -0.8927  XYY=              1.7777
  XXY=              0.0190  XXZ=              1.4232  XZZ=             -1.3823  YZZ=              1.0848
  YYZ=             -0.5306  XYZ=              1.9053
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -237.8777 YYYY=           -237.1120 ZZZZ=           -237.3420 XXXY=              0.8302
 XXXZ=             -0.7573 YYYX=             -0.8917 YYYZ=              1.0307 ZZZX=              0.4048
 ZZZY=             -1.2681 XXYY=            -78.2883 XXZZ=            -78.0519 YYZZ=            -78.8013
 XXYZ=              0.2371 YYXZ=              0.3526 ZZXY=              0.0615
 N-N= 1.985720799793D+02 E-N=-8.537434273376D+02  KE= 1.963898533330D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:56:20 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290710D-06-2.40208701D-06-2.94381935D-06
 Polarizability= 6.33545600D+01 1.19950012D-04 6.33541331D+01
                 3.32805351D-04-2.65587196D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0007   -0.0002       -0.0000    0.0001
 2      0.0007    0.0002       -0.0002    0.0002       -0.0006   -0.0003
 3      0.0000   -0.0001        0.0012    0.0001        0.0001   -0.0002
 4      0.0002   -0.0002        0.0000    0.0000        0.0001   -0.0001
 5     -0.0006    0.0002       -0.0001    0.0001       -0.0007   -0.0002
 6     -0.0001    0.0002        0.0007    0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0005    0.0005        0.0002    0.0002
 2     -0.0005   -0.0005       -0.0000    0.0000        0.0002    0.0002
 3     -0.0005   -0.0005        0.0005    0.0005       -0.0000    0.0000
 4      0.0005    0.0005        0.0005    0.0005       -0.0010   -0.0010
 5     -0.0002   -0.0002        0.0003    0.0003       -0.0005   -0.0005
 6      0.0007    0.0007        0.0002    0.0002       -0.0005   -0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0353    0.0000        0.0123    0.0007       -0.0269   -0.0002
 2      0.0283   -0.0007        0.0381   -0.0006       -0.0064    0.0014
 3      0.0390    0.0002        0.0072   -0.0004       -0.0019    0.0006
 4     -0.0160    0.0006       -0.0005    0.0000       -0.0246    0.0002
 5     -0.0182   -0.0010       -0.0047   -0.0002       -0.0377    0.0007
 6      0.0047   -0.0006        0.0045   -0.0007       -0.0011    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0032    0.0000       -0.0030   -0.0004       -0.0126    0.0024
 2     -0.0313    0.0004        0.0117    0.0008       -0.0178   -0.0006
 3      0.0157   -0.0024       -0.0282    0.0007        0.0151   -0.0008
 4      0.0078   -0.0008        0.0075    0.0000        0.0032   -0.0024
 5      0.0588   -0.0002       -0.0231    0.0024        0.0233   -0.0004
 6     -0.0006    0.0008       -0.0033    0.0004        0.0280    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.8819    2.8582        0.9518    0.9676        1.8063    1.7623
 2      2.8732    2.8566        0.9545    0.9688        1.7930    1.7623
 3      2.8759    2.8566        0.9527    0.9676        1.8056    1.7630
 4     -0.0732   -0.0011       -0.0020    0.0016       -0.0079    0.0009
 5      0.0054    0.0007       -0.0523    0.0007       -0.0038   -0.0016
 6      0.0476   -0.0016       -0.0174   -0.0007       -0.0045    0.0011
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0041   -5.0059   -2.2749   -0.0008   -0.0005   -0.0005
 Low frequencies ---  161.8860  206.5480  230.3120
 Diagonal vibrational polarizability:
        0.7232526       0.7231504       0.7231783
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.8849               206.5478               230.3118
 Red. masses --      1.6872                 1.8150                 1.4621
 Frc consts  --      0.0261                 0.0456                 0.0457
 IR Inten    --      0.0001                 0.0001                 0.0001
 RamAct Fr= 1--      0.0000                 0.0019                 0.0192
  Dep-P Fr= 1--      0.7409                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8512                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0003                 0.0027
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0002                 0.0009                 0.0012
 Delta2 Fr= 1--      0.0006                -0.0023                 0.0002
 Raman1 Fr= 1--       0.000                  0.008                  0.077
 ROA1   Fr= 1--      -0.003                  0.011                  0.121
 CID1   Fr= 1--     -15.353                  1.454                  1.573
 Raman2 Fr= 1--       0.000                  0.003                  0.033
 ROA2   Fr= 1--      -0.010                  0.040                  0.027
 CID2   Fr= 1--    -117.871                 11.866                  0.833
 Raman3 Fr= 1--       0.000                  0.007                  0.066
 ROA3   Fr= 1--      -0.003                  0.011                  0.121
 CID3   Fr= 1--     -18.037                  1.696                  1.835
 RC180  Fr= 1--       0.702                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.00  -0.01  -0.01    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00  -0.01     0.01  -0.05  -0.01     0.01   0.00   0.01
     3   6    -0.01  -0.00   0.00    -0.02   0.01   0.00     0.01  -0.03   0.02
     4   6     0.01  -0.01   0.01     0.03   0.01  -0.02    -0.01   0.00  -0.05
     5   6     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.01   0.02   0.01
     6   1     0.00   0.22   0.10     0.04   0.05   0.03     0.07   0.47   0.23
     7   1    -0.16  -0.02  -0.21    -0.08  -0.08  -0.08    -0.28  -0.04  -0.38
     8   1     0.11  -0.19   0.06     0.09  -0.15   0.03     0.24  -0.38   0.20
     9   1     0.27  -0.15  -0.20    -0.27   0.15   0.19    -0.09  -0.02   0.07
    10   1    -0.20   0.31  -0.13     0.15  -0.23   0.13     0.08  -0.12   0.07
    11   1    -0.12  -0.16   0.34     0.03   0.13  -0.30     0.06   0.01  -0.06
    12   1    -0.17  -0.10   0.04    -0.02  -0.03  -0.02    -0.11  -0.09  -0.06
    13   1     0.06   0.06  -0.16     0.07   0.03  -0.09     0.01   0.07  -0.17
    14   1     0.14   0.01   0.18     0.07   0.05   0.04     0.06   0.04   0.05
    15   1     0.26   0.13  -0.05     0.36   0.22  -0.01    -0.19  -0.10   0.05
    16   1    -0.01  -0.27  -0.13    -0.08  -0.37  -0.19    -0.00   0.21   0.09
    17   1    -0.20   0.10   0.14    -0.36   0.18   0.25     0.14  -0.06  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.9136               302.0783               302.6921
 Red. masses --      1.0700                 2.5435                 2.4688
 Frc consts  --      0.0442                 0.1367                 0.1333
 IR Inten    --      0.0000                 0.0013                 0.0020
 RamAct Fr= 1--      0.0053                 0.9773                 0.9557
  Dep-P Fr= 1--      0.7447                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8536                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0008                 0.1396                 0.1365
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0014                -0.0087                 0.0000
 Delta2 Fr= 1--      0.0046                -0.0069                -0.0048
 Raman1 Fr= 1--       0.021                  3.909                  3.823
 ROA1   Fr= 1--       0.008                 -1.059                 -0.150
 CID1   Fr= 1--       0.396                 -0.271                 -0.039
 Raman2 Fr= 1--       0.009                  1.675                  1.638
 ROA2   Fr= 1--      -0.071                 -0.154                  0.039
 CID2   Fr= 1--      -7.876                 -0.092                  0.024
 Raman3 Fr= 1--       0.018                  3.351                  3.277
 ROA3   Fr= 1--       0.008                 -1.059                 -0.150
 CID3   Fr= 1--       0.463                 -0.316                 -0.046
 RC180  Fr= 1--       0.707                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.02   0.02
     2   6    -0.01  -0.00  -0.02     0.07  -0.11   0.07    -0.10  -0.09  -0.11
     3   6    -0.01  -0.01   0.02    -0.08   0.09  -0.06     0.07   0.00  -0.12
     4   6     0.00  -0.00  -0.01    -0.14  -0.10   0.00     0.05  -0.02   0.14
     5   6     0.02   0.01  -0.01     0.14   0.09   0.00    -0.03   0.10   0.10
     6   1    -0.01   0.13   0.05     0.23  -0.06   0.04    -0.23  -0.05  -0.04
     7   1    -0.09  -0.01  -0.13    -0.02  -0.18   0.12    -0.26  -0.15  -0.23
     8   1     0.06  -0.11   0.03     0.12  -0.22   0.15     0.07  -0.18  -0.24
     9   1    -0.00  -0.05   0.00    -0.01   0.27  -0.00     0.21   0.09  -0.14
    10   1    -0.01   0.03   0.04    -0.14   0.17  -0.10    -0.02  -0.12  -0.29
    11   1    -0.03  -0.04   0.07    -0.24   0.05  -0.18     0.17   0.07  -0.17
    12   1     0.48   0.28  -0.07    -0.18  -0.15   0.00     0.04   0.11   0.22
    13   1    -0.13  -0.22   0.47    -0.26  -0.02   0.06     0.11  -0.12   0.21
    14   1    -0.33  -0.05  -0.44    -0.14  -0.25  -0.04     0.08  -0.06   0.16
    15   1     0.07   0.04  -0.01     0.18   0.10   0.04    -0.05   0.04   0.30
    16   1     0.02  -0.05  -0.02     0.27   0.13   0.17    -0.06   0.26   0.12
    17   1    -0.03   0.04   0.01     0.19   0.20  -0.21    -0.04   0.19   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    374.2099               381.7142               390.4038
 Red. masses --      2.5028                 2.3987                 2.2782
 Frc consts  --      0.2065                 0.2059                 0.2046
 IR Inten    --      0.0417                 0.0450                 0.0519
 RamAct Fr= 1--      0.1807                 0.2076                 0.2577
  Dep-P Fr= 1--      0.7411                 0.7311                 0.7382
  Dep-U Fr= 1--      0.8513                 0.8446                 0.8494
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0256                 0.0292                 0.0365
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0103                 0.0089                -0.0030
 Delta2 Fr= 1--     -0.0002                 0.0045                 0.0118
 Raman1 Fr= 1--       0.723                  0.831                  1.031
 ROA1   Fr= 1--       0.985                  0.999                  0.089
 CID1   Fr= 1--       1.363                  1.203                  0.086
 Raman2 Fr= 1--       0.308                  0.351                  0.438
 ROA2   Fr= 1--       0.250                  0.177                 -0.167
 CID2   Fr= 1--       0.813                  0.505                 -0.381
 Raman3 Fr= 1--       0.615                  0.701                  0.876
 ROA3   Fr= 1--       0.985                  0.999                  0.089
 CID3   Fr= 1--       1.601                  1.424                  0.101
 RC180  Fr= 1--       0.703                  0.689                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.11   0.01    -0.02   0.02   0.14    -0.10  -0.10   0.01
     2   6    -0.01   0.12  -0.06    -0.12  -0.05   0.03    -0.06   0.06   0.13
     3   6    -0.03   0.05   0.01     0.06   0.06  -0.00    -0.09  -0.10  -0.08
     4   6     0.05  -0.13  -0.11    -0.05   0.09  -0.12     0.14   0.04  -0.03
     5   6    -0.00  -0.03   0.12     0.09  -0.10   0.06     0.06   0.03   0.00
     6   1    -0.27   0.13   0.04    -0.27  -0.07   0.09    -0.02   0.08   0.13
     7   1     0.17   0.28  -0.22    -0.22  -0.09  -0.04     0.14   0.18   0.14
     8   1    -0.12   0.27  -0.10    -0.01  -0.07  -0.11    -0.25   0.15   0.28
     9   1    -0.00   0.25   0.09     0.22   0.19  -0.01    -0.03  -0.06  -0.09
    10   1    -0.05   0.22   0.04    -0.04  -0.06  -0.18    -0.14  -0.16  -0.17
    11   1    -0.29  -0.04  -0.13     0.15   0.13  -0.08    -0.06  -0.07  -0.11
    12   1     0.08  -0.24  -0.19     0.09  -0.12  -0.31     0.24   0.09  -0.05
    13   1    -0.02  -0.04  -0.14    -0.12   0.21  -0.20     0.36  -0.11  -0.13
    14   1     0.01  -0.11  -0.15    -0.16   0.26  -0.21     0.12   0.33   0.04
    15   1    -0.02  -0.10   0.35     0.10  -0.03  -0.19     0.14   0.07   0.04
    16   1    -0.11   0.11   0.05     0.18  -0.26   0.11     0.20   0.04   0.17
    17   1    -0.06   0.01   0.16     0.15  -0.19   0.09     0.07   0.19  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    679.2738               752.7266               767.7135
 Red. masses --      3.3259                 2.4770                 2.5004
 Frc consts  --      0.9042                 0.8269                 0.8683
 IR Inten    --      0.0293                 0.1214                 0.2257
 RamAct Fr= 1--     15.5210                 1.0631                 2.0041
  Dep-P Fr= 1--      0.0029                 0.4973                 0.4531
  Dep-U Fr= 1--      0.0058                 0.6643                 0.6236
 Alpha2 Fr= 1--      0.3426                 0.0053                 0.0121
 Beta2  Fr= 1--      0.0151                 0.1177                 0.2083
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--     -0.0380                -0.1796                 0.0518
 Delta2 Fr= 1--     -0.0445                -0.2351                 0.0637
 Raman1 Fr= 1--      62.084                  4.252                  8.016
 ROA1   Fr= 1--      -5.072                -24.763                  7.013
 CID1   Fr= 1--      -0.082                 -5.823                  0.875
 Raman2 Fr= 1--       0.181                  1.412                  2.500
 ROA2   Fr= 1--      -0.557                 -2.429                  0.734
 CID2   Fr= 1--      -3.072                 -1.719                  0.294
 Raman3 Fr= 1--       0.363                  2.825                  4.999
 ROA3   Fr= 1--      -5.072                -24.763                  7.013
 CID3   Fr= 1--     -13.992                 -8.766                  1.403
 RC180  Fr= 1--      -0.988                  0.329                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.04   0.00    -0.00   0.00  -0.03    -0.06  -0.02   0.00
     2   6     0.10   0.06  -0.14    -0.01  -0.01   0.03    -0.03   0.03  -0.09
     3   6    -0.13  -0.11  -0.07    -0.00   0.12  -0.10    -0.07   0.09   0.14
     4   6    -0.09   0.16   0.05    -0.03   0.05   0.01     0.04  -0.09  -0.02
     5   6     0.12  -0.07   0.16     0.02  -0.16   0.01     0.00  -0.05  -0.03
     6   1     0.32   0.07  -0.24    -0.11  -0.05   0.05     0.40   0.12  -0.22
     7   1     0.08   0.02  -0.06    -0.06  -0.03   0.00     0.10   0.06   0.06
     8   1     0.13   0.01  -0.10     0.03  -0.00  -0.04    -0.15  -0.01   0.16
     9   1    -0.14  -0.17  -0.11    -0.31  -0.32  -0.20     0.21   0.12   0.04
    10   1    -0.21  -0.21  -0.20     0.23   0.13   0.19    -0.23  -0.26  -0.18
    11   1    -0.15  -0.11  -0.11     0.19   0.13   0.21     0.41   0.34   0.20
    12   1    -0.08   0.15   0.04    -0.01  -0.06  -0.06     0.08  -0.18  -0.09
    13   1    -0.11   0.18   0.05    -0.10   0.14  -0.02     0.00  -0.04  -0.05
    14   1    -0.10   0.17   0.03    -0.06   0.05  -0.03    -0.01  -0.05  -0.07
    15   1     0.08  -0.12   0.24     0.23  -0.17   0.46     0.04  -0.09   0.19
    16   1     0.06  -0.08   0.10     0.09   0.02   0.15    -0.03   0.05  -0.03
    17   1     0.13  -0.22   0.36    -0.08   0.18  -0.27    -0.08   0.07  -0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    805.6882               827.3217               873.5179
 Red. masses --      2.6097                 2.4535                 2.3169
 Frc consts  --      0.9981                 0.9894                 1.0416
 IR Inten    --      0.2700                 0.2336                 0.4078
 RamAct Fr= 1--      2.6706                 4.1432                 3.2218
  Dep-P Fr= 1--      0.7204                 0.3525                 0.5673
  Dep-U Fr= 1--      0.8375                 0.5213                 0.7239
 Alpha2 Fr= 1--      0.0014                 0.0361                 0.0111
 Beta2  Fr= 1--      0.3728                 0.3599                 0.3887
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0001
 Gamma2 Fr= 1--      0.2151                 0.2101                -0.0282
 Delta2 Fr= 1--      0.2894                 0.2760                 0.0399
 Raman1 Fr= 1--      10.682                 16.573                 12.887
 ROA1   Fr= 1--      29.909                 29.004                 -1.434
 CID1   Fr= 1--       2.800                  1.750                 -0.111
 Raman2 Fr= 1--       4.473                  4.319                  4.665
 ROA2   Fr= 1--       2.847                  2.834                 -0.997
 CID2   Fr= 1--       0.636                  0.656                 -0.214
 Raman3 Fr= 1--       8.946                  8.639                  9.329
 ROA3   Fr= 1--      29.909                 29.004                 -1.434
 CID3   Fr= 1--       3.343                  3.358                 -0.154
 RC180  Fr= 1--       0.675                  0.043                  0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.05  -0.04   0.07    -0.10  -0.03   0.04
     2   6    -0.05   0.01  -0.04     0.21  -0.02  -0.04     0.04   0.06  -0.10
     3   6     0.14  -0.08   0.06    -0.06  -0.03   0.07     0.05   0.03  -0.03
     4   6    -0.10   0.12   0.04    -0.03   0.08   0.04    -0.01  -0.07  -0.01
     5   6    -0.01  -0.09  -0.08    -0.10  -0.05  -0.04    -0.12  -0.04   0.18
     6   1     0.23   0.03  -0.14    -0.33  -0.02   0.18     0.21   0.03  -0.19
     7   1    -0.04  -0.02   0.07     0.28   0.12  -0.31    -0.00   0.02  -0.08
     8   1    -0.05  -0.06   0.07     0.17   0.16  -0.23     0.12   0.01  -0.14
     9   1     0.29   0.35   0.22     0.09   0.05   0.05    -0.04   0.01   0.00
    10   1     0.10   0.19   0.10    -0.20  -0.23  -0.17     0.15   0.16   0.13
    11   1    -0.21  -0.20  -0.16     0.01   0.02   0.00     0.01  -0.01   0.03
    12   1     0.02   0.16   0.01    -0.06  -0.04  -0.01     0.08   0.03   0.00
    13   1     0.07   0.02  -0.04    -0.18   0.23   0.06     0.21  -0.23  -0.08
    14   1    -0.12   0.36   0.08    -0.06  -0.00  -0.02    -0.00   0.17   0.07
    15   1     0.08  -0.15   0.29     0.04   0.05  -0.09     0.05   0.20  -0.34
    16   1    -0.04   0.07  -0.06     0.04  -0.04   0.12     0.22  -0.27   0.48
    17   1    -0.14   0.16  -0.24    -0.10   0.22  -0.39     0.10   0.05  -0.24
                     16                     17                     18
                      A                      A                      A
 Frequencies --    920.8084               994.6243              1007.4653
 Red. masses --      1.6302                 1.6512                 1.7486
 Frc consts  --      0.8144                 0.9624                 1.0457
 IR Inten    --      0.4245                 0.0798                 0.1197
 RamAct Fr= 1--      3.2433                 1.5140                 2.5144
  Dep-P Fr= 1--      0.6554                 0.7173                 0.7220
  Dep-U Fr= 1--      0.7918                 0.8354                 0.8386
 Alpha2 Fr= 1--      0.0055                 0.0009                 0.0012
 Beta2  Fr= 1--      0.4280                 0.2108                 0.3514
 AlphaG Fr= 1--      0.0002                -0.0001                 0.0001
 Gamma2 Fr= 1--     -0.3726                -0.0047                 0.1179
 Delta2 Fr= 1--     -0.5735                -0.0595                -0.0033
 Raman1 Fr= 1--      12.973                  6.056                 10.058
 ROA1   Fr= 1--     -54.123                 -2.351                 11.216
 CID1   Fr= 1--      -4.172                 -0.388                  1.115
 Raman2 Fr= 1--       5.136                  2.530                  4.217
 ROA2   Fr= 1--      -4.354                  0.364                  2.856
 CID2   Fr= 1--      -0.848                  0.144                  0.677
 Raman3 Fr= 1--      10.272                  5.059                  8.434
 ROA3   Fr= 1--     -54.123                 -2.351                 11.216
 CID3   Fr= 1--      -5.269                 -0.465                  1.330
 RC180  Fr= 1--       0.584                  0.671                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.05  -0.11     0.07   0.01   0.03    -0.01  -0.10   0.06
     2   6     0.00  -0.11  -0.03    -0.11  -0.04  -0.03     0.02  -0.09  -0.07
     3   6     0.01   0.03   0.02     0.03  -0.01  -0.02    -0.00   0.03  -0.05
     4   6    -0.04   0.08  -0.06     0.10   0.06   0.03    -0.05  -0.01   0.12
     5   6     0.01  -0.01   0.06    -0.05  -0.02   0.05     0.04   0.08  -0.04
     6   1    -0.10   0.12   0.14     0.20   0.12  -0.07     0.04   0.12   0.04
     7   1     0.41   0.17  -0.15     0.12   0.07   0.06     0.36   0.13  -0.13
     8   1    -0.36   0.10   0.24    -0.29   0.00   0.19    -0.24   0.07   0.12
     9   1     0.09   0.09   0.02    -0.01  -0.08  -0.04    -0.05  -0.05  -0.08
    10   1     0.05   0.06   0.07     0.04  -0.02  -0.01     0.12   0.08   0.11
    11   1     0.14   0.09   0.05    -0.14  -0.08  -0.09     0.06   0.04   0.05
    12   1    -0.26   0.41   0.23    -0.10  -0.25  -0.06     0.26  -0.31  -0.20
    13   1     0.03  -0.13   0.13    -0.39   0.46   0.15     0.00   0.14  -0.15
    14   1     0.13  -0.20   0.08     0.04  -0.39  -0.18    -0.26   0.47   0.00
    15   1     0.05   0.03   0.00     0.00   0.06  -0.14    -0.16  -0.00  -0.13
    16   1     0.07  -0.09   0.10    -0.00  -0.04   0.09    -0.05   0.07  -0.14
    17   1     0.09  -0.10   0.08    -0.01   0.08  -0.15    -0.05   0.02   0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1076.4919              1078.4669              1084.3734
 Red. masses --      2.1991                 2.1791                 2.2789
 Frc consts  --      1.5015                 1.4933                 1.5788
 IR Inten    --      2.9359                 3.6968                 4.7134
 RamAct Fr= 1--      1.6451                 1.8129                 1.1202
  Dep-P Fr= 1--      0.7305                 0.7463                 0.7315
  Dep-U Fr= 1--      0.8443                 0.8547                 0.8449
 Alpha2 Fr= 1--      0.0005                 0.0001                 0.0004
 Beta2  Fr= 1--      0.2315                 0.2583                 0.1577
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.1659                -0.0457                -0.2910
 Delta2 Fr= 1--      0.0531                 0.0773                -0.0223
 Raman1 Fr= 1--       6.580                  7.252                  4.481
 ROA1   Fr= 1--      17.623                 -1.918                -28.645
 CID1   Fr= 1--       2.678                 -0.264                 -6.393
 Raman2 Fr= 1--       2.778                  3.099                  1.893
 ROA2   Fr= 1--       3.556                 -1.716                 -6.805
 CID2   Fr= 1--       1.280                 -0.554                 -3.595
 Raman3 Fr= 1--       5.556                  6.198                  3.786
 ROA3   Fr= 1--      17.623                 -1.918                -28.645
 CID3   Fr= 1--       3.172                 -0.309                 -7.566
 RC180  Fr= 1--       0.689                  0.709                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00   0.03
     2   6    -0.00  -0.01  -0.00     0.00   0.01   0.01    -0.01  -0.01  -0.01
     3   6     0.02   0.01  -0.12    -0.10   0.09  -0.00     0.08   0.08  -0.02
     4   6     0.02   0.00   0.02    -0.01  -0.00  -0.01    -0.02   0.00  -0.05
     5   6    -0.07   0.03  -0.03     0.01  -0.00   0.00     0.12  -0.05   0.05
     6   1     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.03   0.02  -0.01
     7   1     0.00   0.00  -0.01    -0.05  -0.02   0.01     0.02   0.01  -0.00
     8   1    -0.02   0.01   0.01     0.05  -0.00  -0.04    -0.03   0.00   0.02
     9   1    -0.16   0.43   0.18     0.52  -0.02  -0.33    -0.23   0.05   0.10
    10   1     0.12  -0.29  -0.09     0.36  -0.48   0.36     0.01  -0.23  -0.22
    11   1    -0.07  -0.25   0.59    -0.32  -0.04   0.01    -0.18  -0.15   0.28
    12   1     0.03  -0.09  -0.04    -0.02   0.05   0.02    -0.08   0.22   0.10
    13   1    -0.05   0.08  -0.01     0.03  -0.05  -0.00     0.08  -0.14   0.02
    14   1    -0.03  -0.00  -0.04     0.01  -0.00   0.01     0.08  -0.06   0.06
    15   1     0.22   0.14   0.14    -0.02  -0.01  -0.02    -0.38  -0.25  -0.24
    16   1    -0.03   0.01  -0.00     0.02   0.01   0.02     0.04   0.00  -0.02
    17   1     0.18  -0.25  -0.01    -0.02   0.02   0.02    -0.31   0.43   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1099.4280              1200.9258              1231.7213
 Red. masses --      2.5558                 3.1951                 2.5947
 Frc consts  --      1.8202                 2.7150                 2.3193
 IR Inten    --      0.8062                 3.1554                 7.7793
 RamAct Fr= 1--      1.9571                12.0896                11.1373
  Dep-P Fr= 1--      0.0516                 0.7484                 0.7372
  Dep-U Fr= 1--      0.0981                 0.8561                 0.8487
 Alpha2 Fr= 1--      0.0385                 0.0003                 0.0024
 Beta2  Fr= 1--      0.0320                 1.7250                 1.5754
 AlphaG Fr= 1--     -0.0003                -0.0001                 0.0002
 Gamma2 Fr= 1--      0.0217                 1.2381                -1.4646
 Delta2 Fr= 1--      0.1056                 0.5184                -0.5169
 Raman1 Fr= 1--       7.828                 48.358                 44.549
 ROA1   Fr= 1--       5.458                135.445               -157.143
 CID1   Fr= 1--       0.697                  2.801                 -3.527
 Raman2 Fr= 1--       0.384                 20.700                 18.905
 ROA2   Fr= 1--      -0.325                 25.567                -31.015
 CID2   Fr= 1--      -0.847                  1.235                 -1.641
 Raman3 Fr= 1--       0.768                 41.399                 37.810
 ROA3   Fr= 1--       5.458                135.445               -157.143
 CID3   Fr= 1--       7.106                  3.272                 -4.156
 RC180  Fr= 1--      -0.804                  0.712                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01     0.26  -0.24  -0.05     0.17   0.16   0.16
     2   6     0.01   0.05   0.03    -0.09   0.08   0.07    -0.06  -0.10  -0.03
     3   6    -0.15  -0.16  -0.12    -0.05   0.04   0.01    -0.09  -0.08  -0.07
     4   6     0.06   0.04   0.00    -0.09   0.07  -0.00    -0.07  -0.05  -0.06
     5   6     0.07  -0.01   0.03    -0.03   0.01   0.07    -0.02  -0.05   0.00
     6   1    -0.00  -0.08  -0.04     0.11  -0.22  -0.17     0.14   0.31   0.12
     7   1    -0.13  -0.02  -0.02    -0.23   0.05  -0.14     0.21  -0.02   0.27
     8   1     0.17  -0.03  -0.10     0.14  -0.21   0.12    -0.15   0.23  -0.31
     9   1     0.16   0.40   0.03    -0.07  -0.05  -0.03     0.01   0.07  -0.05
    10   1     0.09   0.23   0.33    -0.07  -0.04  -0.05    -0.01   0.04   0.09
    11   1     0.41   0.05   0.16     0.14   0.12   0.09     0.10  -0.01   0.02
    12   1    -0.09  -0.05   0.02    -0.04   0.27   0.09     0.06   0.24   0.06
    13   1    -0.20   0.22   0.09     0.02  -0.03   0.00     0.20  -0.31  -0.04
    14   1     0.04  -0.19  -0.08    -0.03   0.22   0.12     0.09   0.12   0.18
    15   1    -0.21  -0.12  -0.14     0.06   0.16  -0.24     0.10   0.02  -0.01
    16   1     0.07  -0.02   0.04    -0.37   0.16  -0.30    -0.24   0.15  -0.20
    17   1    -0.15   0.19   0.08     0.13   0.00  -0.14     0.02   0.06  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1237.0970              1320.0184              1321.8164
 Red. masses --      3.0262                 1.3547                 1.3648
 Frc consts  --      2.7287                 1.3908                 1.4049
 IR Inten    --      2.0389                 5.5233                 6.4562
 RamAct Fr= 1--     11.6388                 4.0283                 4.6082
  Dep-P Fr= 1--      0.7219                 0.7414                 0.7320
  Dep-U Fr= 1--      0.8385                 0.8515                 0.8452
 Alpha2 Fr= 1--      0.0056                 0.0006                 0.0014
 Beta2  Fr= 1--      1.6265                 0.5717                 0.6492
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0001
 Gamma2 Fr= 1--      0.2270                -0.8301                 0.8380
 Delta2 Fr= 1--      0.0997                -0.8952                 0.8009
 Raman1 Fr= 1--      46.555                 16.113                 18.433
 ROA1   Fr= 1--      24.980               -108.335                106.080
 CID1   Fr= 1--       0.537                 -6.723                  5.755
 Raman2 Fr= 1--      19.518                  6.860                  7.790
 ROA2   Fr= 1--       4.649                -12.760                 13.706
 CID2   Fr= 1--       0.238                 -1.860                  1.759
 Raman3 Fr= 1--      39.036                 13.720                 15.580
 ROA3   Fr= 1--      24.980               -108.335                106.080
 CID3   Fr= 1--       0.640                 -7.896                  6.809
 RC180  Fr= 1--       0.677                  0.703                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.16   0.30     0.04  -0.07   0.03     0.05   0.01   0.07
     2   6    -0.01   0.02   0.01     0.03   0.03  -0.09     0.03   0.04  -0.08
     3   6     0.02   0.03  -0.04    -0.01   0.01  -0.01    -0.01  -0.01  -0.02
     4   6     0.03   0.06  -0.11     0.00   0.01  -0.01    -0.01  -0.01  -0.02
     5   6    -0.01   0.07  -0.15    -0.02   0.07  -0.01    -0.03  -0.04  -0.06
     6   1     0.23  -0.04  -0.13    -0.14   0.15   0.05    -0.16  -0.07  -0.06
     7   1     0.10   0.18  -0.33    -0.12  -0.27   0.62    -0.03  -0.08   0.19
     8   1     0.17   0.05  -0.28    -0.03  -0.08   0.15    -0.11  -0.27   0.55
     9   1    -0.09  -0.13  -0.06    -0.02  -0.01  -0.01    -0.01  -0.00  -0.02
    10   1     0.07   0.08   0.04     0.00   0.00   0.00     0.00   0.02   0.02
    11   1    -0.01   0.02  -0.03     0.02   0.02   0.02     0.02  -0.00  -0.00
    12   1    -0.28   0.20   0.13    -0.05   0.06   0.04    -0.01   0.09   0.04
    13   1    -0.06  -0.13   0.26    -0.05   0.02   0.05     0.00  -0.04   0.02
    14   1     0.24  -0.34   0.05     0.02   0.03   0.02     0.03   0.03   0.05
    15   1    -0.00   0.00   0.16    -0.15  -0.05   0.13     0.11   0.05  -0.09
    16   1     0.09  -0.01  -0.05     0.11  -0.58  -0.09     0.19   0.49   0.38
    17   1    -0.02  -0.13   0.09     0.08   0.01  -0.08    -0.16  -0.04   0.14
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1331.8808              1338.0551              1412.0156
 Red. masses --      1.5471                 1.3400                 1.2333
 Frc consts  --      1.6170                 1.4135                 1.4488
 IR Inten    --      1.3710                 3.5397                 5.1192
 RamAct Fr= 1--      4.8653                 1.8415                 0.3367
  Dep-P Fr= 1--      0.6866                 0.7367                 0.4007
  Dep-U Fr= 1--      0.8142                 0.8484                 0.5721
 Alpha2 Fr= 1--      0.0054                 0.0004                 0.0025
 Beta2  Fr= 1--      0.6602                 0.2604                 0.0321
 AlphaG Fr= 1--     -0.0000                -0.0002                 0.0000
 Gamma2 Fr= 1--      0.1168                 0.1272                -0.0429
 Delta2 Fr= 1--     -0.0045                -0.0021                -0.0241
 Raman1 Fr= 1--      19.461                  7.366                  1.347
 ROA1   Fr= 1--      11.070                 12.142                 -4.890
 CID1   Fr= 1--       0.569                  1.648                 -3.631
 Raman2 Fr= 1--       7.923                  3.125                  0.385
 ROA2   Fr= 1--       2.840                  3.070                 -0.838
 CID2   Fr= 1--       0.358                  0.982                 -2.175
 Raman3 Fr= 1--      15.846                  6.249                  0.770
 ROA3   Fr= 1--      11.070                 12.142                 -4.890
 CID3   Fr= 1--       0.699                  1.943                 -6.347
 RC180  Fr= 1--       0.628                  0.697                  0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.01  -0.05     0.02   0.10   0.05    -0.00   0.02   0.00
     2   6    -0.06  -0.02   0.05     0.00   0.01  -0.00    -0.00  -0.01   0.01
     3   6    -0.02  -0.01   0.01    -0.02  -0.02  -0.02     0.00   0.00   0.00
     4   6    -0.04   0.00   0.02    -0.02  -0.02  -0.01     0.06  -0.12  -0.04
     5   6    -0.05   0.04  -0.08     0.00   0.02   0.01    -0.00   0.00  -0.01
     6   1     0.13  -0.00  -0.01    -0.05  -0.26  -0.13     0.03  -0.02  -0.00
     7   1     0.03   0.10  -0.16     0.10   0.20  -0.44    -0.03   0.01  -0.11
     8   1     0.02   0.07  -0.19    -0.11  -0.25   0.52    -0.05   0.06  -0.01
     9   1    -0.00   0.01   0.01     0.01   0.02  -0.02     0.00  -0.01   0.00
    10   1    -0.04  -0.03  -0.03     0.01   0.01   0.03     0.00  -0.00  -0.01
    11   1     0.02   0.01   0.02    -0.00  -0.02  -0.01    -0.01  -0.00  -0.01
    12   1     0.13   0.02  -0.05     0.10   0.01  -0.04    -0.18   0.40   0.35
    13   1     0.07  -0.03  -0.09     0.06  -0.08  -0.03    -0.44   0.35   0.04
    14   1    -0.01   0.04   0.06     0.05  -0.02   0.07    -0.09   0.56   0.01
    15   1    -0.12  -0.05   0.10    -0.09  -0.06   0.13    -0.01  -0.00   0.02
    16   1     0.59  -0.30   0.57    -0.04  -0.43  -0.19     0.03  -0.03   0.02
    17   1    -0.14  -0.03   0.12     0.08   0.05  -0.13    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.4030              1498.5711              1500.9194
 Red. masses --      1.0747                 1.0540                 1.0583
 Frc consts  --      1.3747                 1.3946                 1.4047
 IR Inten    --      2.8805                 4.9302                 6.8482
 RamAct Fr= 1--      4.5539                 3.9165                 2.3947
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.6505                 0.5595                 0.3421
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0034                -0.0301                -0.0085
 Delta2 Fr= 1--     -0.0130                 0.0283                 0.0227
 Raman1 Fr= 1--      18.215                 15.666                  9.579
 ROA1   Fr= 1--      -0.739                 -1.990                 -0.088
 CID1   Fr= 1--      -0.041                 -0.127                 -0.009
 Raman2 Fr= 1--       7.806                  6.714                  4.105
 ROA2   Fr= 1--       0.023                 -0.950                 -0.386
 CID2   Fr= 1--       0.003                 -0.141                 -0.094
 Raman3 Fr= 1--      15.612                 13.428                  8.210
 ROA3   Fr= 1--      -0.739                 -1.990                 -0.088
 CID3   Fr= 1--      -0.047                 -0.148                 -0.011
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01    -0.03  -0.02   0.01    -0.02   0.00  -0.04
     2   6    -0.07   0.01  -0.00     0.01   0.00  -0.00    -0.02   0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     4   6     0.01  -0.01   0.02    -0.04  -0.03   0.01    -0.02   0.00  -0.05
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.01
     6   1    -0.07   0.01  -0.00    -0.00   0.01   0.00    -0.03   0.01   0.01
     7   1     0.55   0.27   0.24    -0.02  -0.02   0.03     0.19   0.09   0.09
     8   1     0.46  -0.46  -0.10     0.00   0.02  -0.02     0.16  -0.15  -0.06
     9   1     0.00  -0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.01
    10   1     0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.01  -0.01
    11   1    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.01  -0.00   0.00
    12   1    -0.07   0.10   0.11     0.58   0.40  -0.03     0.22  -0.20  -0.24
    13   1     0.07   0.06  -0.18    -0.13   0.37  -0.37    -0.32  -0.05   0.47
    14   1    -0.14  -0.03  -0.17     0.22  -0.34   0.20     0.36   0.21   0.49
    15   1     0.00  -0.00   0.01     0.01   0.01  -0.00     0.00   0.00  -0.01
    16   1    -0.01  -0.00  -0.01    -0.03   0.03  -0.03    -0.00   0.01   0.01
    17   1     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.00  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9753              2206.9434              2244.9986
 Red. masses --      2.1312                 2.1899                 2.2674
 Frc consts  --      5.9128                 6.2842                 6.7329
 IR Inten    --     15.1277                14.2572                14.3438
 RamAct Fr= 1--     70.3130                76.2968                59.2951
  Dep-P Fr= 1--      0.0016                 0.0630                 0.1844
  Dep-U Fr= 1--      0.0032                 0.1185                 0.3114
 Alpha2 Fr= 1--      1.5567                 1.4611                 0.8390
 Beta2  Fr= 1--      0.0373                 1.5069                 3.0774
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0002
 Gamma2 Fr= 1--      0.0470                -0.0489                -0.0842
 Delta2 Fr= 1--      0.0431                -0.0519                -0.0788
 Raman1 Fr= 1--     281.252                305.187                237.180
 ROA1   Fr= 1--       5.892                 -6.357                -10.604
 CID1   Fr= 1--       0.021                 -0.021                 -0.045
 Raman2 Fr= 1--       0.447                 18.082                 36.929
 ROA2   Fr= 1--       0.783                 -0.759                 -1.390
 CID2   Fr= 1--       1.751                 -0.042                 -0.038
 Raman3 Fr= 1--       0.895                 36.165                 73.857
 ROA3   Fr= 1--       5.892                 -6.357                -10.604
 CID3   Fr= 1--       6.585                 -0.176                 -0.144
 RC180  Fr= 1--      -0.994                 -0.763                 -0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.05   0.07  -0.14
     3   6    -0.07  -0.07  -0.05    -0.01  -0.00  -0.00     0.00  -0.01   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.13  -0.03   0.04     0.00  -0.00   0.00
     6   1    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.34  -0.43   0.81
     7   1    -0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.04   0.07   0.01
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.04  -0.04
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.03    -0.00   0.01  -0.01
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.03     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01    -0.01   0.02   0.01
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
    13   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.00
    15   1     0.02  -0.04  -0.01    -0.33   0.59   0.17    -0.01   0.01   0.00
    16   1    -0.01  -0.00   0.00     0.08   0.02  -0.07    -0.00  -0.00   0.00
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.01  -0.01  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1989              2284.5344              2285.8662
 Red. masses --      2.3739                 2.3767                 2.3788
 Frc consts  --      7.2911                 7.3082                 7.3234
 IR Inten    --      7.7808                16.5072                24.7961
 RamAct Fr= 1--     18.9706                39.2516                58.9156
  Dep-P Fr= 1--      0.7492                 0.7489                 0.7497
  Dep-U Fr= 1--      0.8566                 0.8564                 0.8569
 Alpha2 Fr= 1--      0.0003                 0.0008                 0.0003
 Beta2  Fr= 1--      2.7084                 5.6026                 8.4146
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -1.6238                 0.3396                 1.4594
 Delta2 Fr= 1--     -1.4907                 0.3042                 1.3389
 Raman1 Fr= 1--      75.883                157.007                235.662
 ROA1   Fr= 1--    -203.585                 42.334                182.948
 CID1   Fr= 1--      -2.683                  0.270                  0.776
 Raman2 Fr= 1--      32.501                 67.231                100.975
 ROA2   Fr= 1--     -27.046                  5.716                 24.315
 CID2   Fr= 1--      -0.832                  0.085                  0.241
 Raman3 Fr= 1--      65.002                134.461                201.949
 ROA3   Fr= 1--    -203.585                 42.334                182.948
 CID3   Fr= 1--      -3.132                  0.315                  0.906
 RC180  Fr= 1--       0.713                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.08  -0.11   0.03    -0.10  -0.02   0.16     0.07  -0.11   0.04
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.01   0.12   0.06    -0.00   0.00   0.00    -0.02  -0.12  -0.06
     6   1    -0.01   0.01  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1    -0.17   0.19  -0.38    -0.18   0.20  -0.39    -0.17   0.20  -0.38
    10   1    -0.05  -0.02   0.04     0.61   0.18  -0.49    -0.03  -0.01   0.03
    11   1    -0.24   0.45   0.14     0.15  -0.28  -0.08    -0.23   0.43   0.13
    12   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    13   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    15   1     0.23  -0.41  -0.12     0.01  -0.02  -0.00    -0.24   0.42   0.12
    16   1     0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
    17   1    -0.32  -0.29  -0.23    -0.00  -0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2159              3044.1268              3064.1894
 Red. masses --      1.0345                 1.0601                 1.0831
 Frc consts  --      5.5633                 5.7880                 5.9916
 IR Inten    --     32.2051                28.2550                25.3700
 RamAct Fr= 1--    139.1705               152.3952               102.4119
  Dep-P Fr= 1--      0.0007                 0.0740                 0.1966
  Dep-U Fr= 1--      0.0014                 0.1378                 0.3286
 Alpha2 Fr= 1--      3.0876                 2.8419                 1.4034
 Beta2  Fr= 1--      0.0329                 3.5012                 5.6081
 AlphaG Fr= 1--      0.0000                -0.0004                -0.0005
 Gamma2 Fr= 1--      0.0374                 0.3998                -0.4444
 Delta2 Fr= 1--      0.0337                 0.3671                -0.4051
 Raman1 Fr= 1--     556.682                609.581                409.648
 ROA1   Fr= 1--       4.671                 50.129                -55.629
 CID1   Fr= 1--       0.008                  0.082                 -0.136
 Raman2 Fr= 1--       0.395                 42.015                 67.298
 ROA2   Fr= 1--       0.628                  6.659                 -7.426
 CID2   Fr= 1--       1.588                  0.158                 -0.110
 Raman3 Fr= 1--       0.790                 84.030                134.595
 ROA3   Fr= 1--       4.671                 50.129                -55.629
 CID3   Fr= 1--       5.909                  0.597                 -0.413
 RC180  Fr= 1--      -0.997                 -0.724                 -0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01   0.00  -0.00     0.07  -0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00  -0.00     0.01   0.01  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.06  -0.02   0.05
     6   1     0.00  -0.00   0.00    -0.00   0.01  -0.02    -0.00  -0.00   0.00
     7   1     0.03  -0.05  -0.02    -0.33   0.59   0.19    -0.01   0.02   0.01
     8   1     0.04   0.04   0.03    -0.45  -0.44  -0.31    -0.01  -0.01  -0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.03  -0.04   0.07     0.02  -0.02   0.04
    13   1    -0.37  -0.35  -0.26    -0.02  -0.02  -0.01    -0.05  -0.05  -0.04
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03    -0.05  -0.01   0.04
    15   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
    16   1    -0.03  -0.01   0.02    -0.03  -0.01   0.02     0.74   0.22  -0.62
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.7513              3083.7225              3085.3043
 Red. masses --      1.1023                 1.1016                 1.1013
 Frc consts  --      6.1682                 6.1718                 6.1767
 IR Inten    --     16.1995                38.3851                55.1360
 RamAct Fr= 1--     36.2557                75.6068               110.7805
  Dep-P Fr= 1--      0.7463                 0.7381                 0.7495
  Dep-U Fr= 1--      0.8547                 0.8493                 0.8568
 Alpha2 Fr= 1--      0.0023                 0.0154                 0.0009
 Beta2  Fr= 1--      5.1648                10.7020                15.8200
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--    -10.6172                 2.2962                 8.2362
 Delta2 Fr= 1--     -9.6902                 2.1108                 7.5211
 Raman1 Fr= 1--     145.023                302.427                443.122
 ROA1   Fr= 1--   -1329.337                287.979               1031.353
 CID1   Fr= 1--      -9.166                  0.952                  2.327
 Raman2 Fr= 1--      61.978                128.424                189.840
 ROA2   Fr= 1--    -177.291                 38.222                137.500
 CID2   Fr= 1--      -2.861                  0.298                  0.724
 Raman3 Fr= 1--     123.956                256.848                379.680
 ROA3   Fr= 1--   -1329.337                287.979               1031.353
 CID3   Fr= 1--     -10.724                  1.121                  2.716
 RC180  Fr= 1--       0.709                  0.699                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.00    -0.01  -0.05  -0.03
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.05   0.02   0.02     0.01   0.03  -0.09    -0.06  -0.03  -0.01
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   1    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
     7   1    -0.26   0.44   0.14    -0.02   0.04   0.01    -0.22   0.38   0.12
     8   1     0.34   0.31   0.23     0.06   0.05   0.04     0.32   0.29   0.21
     9   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.08   0.12  -0.20     0.28  -0.34   0.61     0.05  -0.08   0.13
    13   1    -0.34  -0.34  -0.25     0.09   0.10   0.04     0.37   0.37   0.27
    14   1    -0.22  -0.06   0.20    -0.48  -0.12   0.38     0.31   0.08  -0.27
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    16   1    -0.04  -0.01   0.04    -0.05  -0.02   0.05     0.04   0.01  -0.04
    17   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   2.01410
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   452.72763 472.96466 492.88718
           X            0.64202   0.28349   0.71235
           Y            0.18336   0.84539  -0.50169
           Z            0.74444  -0.45271  -0.49078
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19132     0.18313     0.17573
 Rotational constants (GHZ):           3.98637     3.81581     3.66157
 Zero-point vibrational energy     366684.8 (Joules/Mol)
                                   87.63977 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    232.92   297.18   331.37   381.15   434.62
          (Kelvin)            435.51   538.40   549.20   561.70   977.32
                             1083.01  1104.57  1159.21  1190.33  1256.80
                             1324.84  1431.04  1449.52  1548.83  1551.67
                             1560.17  1581.83  1727.86  1772.17  1779.91
                             1899.21  1901.80  1916.28  1925.16  2031.58
                             2119.90  2156.11  2159.49  3122.11  3175.30
                             3230.05  3285.01  3286.94  3288.85  4346.86
                             4379.82  4408.69  4433.95  4436.79  4439.06
 
 Zero-point correction=                           0.139663 (Hartree/Particle)
 Thermal correction to Energy=                    0.147314
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732194
 Sum of electronic and thermal Energies=              -197.724543
 Sum of electronic and thermal Enthalpies=            -197.723598
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.040             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.664             23.079             16.216
 Vibration     1          0.622              1.889              2.528
 Vibration     2          0.641              1.831              2.074
 Vibration     3          0.652              1.795              1.877
 Vibration     4          0.671              1.737              1.629
 Vibration     5          0.694              1.670              1.405
 Vibration     6          0.694              1.669              1.402
 Vibration     7          0.745              1.525              1.062
 Vibration     8          0.751              1.509              1.032
 Vibration     9          0.758              1.491              0.999
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385615D-50        -50.413846       -116.082170
 Total V=0       0.670736D+14         13.826552         31.836812
 Vib (Bot)       0.122154D-62        -62.913092       -144.862747
 Vib (Bot)    1  0.124809D+01          0.096247          0.221617
 Vib (Bot)    2  0.962919D+00         -0.016410         -0.037786
 Vib (Bot)    3  0.855064D+00         -0.068002         -0.156579
 Vib (Bot)    4  0.731403D+00         -0.135844         -0.312791
 Vib (Bot)    5  0.628822D+00         -0.201472         -0.463907
 Vib (Bot)    6  0.627328D+00         -0.202505         -0.466285
 Vib (Bot)    7  0.485112D+00         -0.314158         -0.723375
 Vib (Bot)    8  0.473098D+00         -0.325049         -0.748452
 Vib (Bot)    9  0.459727D+00         -0.337500         -0.777124
 Vib (V=0)       0.212474D+02          1.327306          3.056234
 Vib (V=0)    1  0.184452D+01          0.265884          0.612220
 Vib (V=0)    2  0.158499D+01          0.200028          0.460581
 Vib (V=0)    3  0.149052D+01          0.173338          0.399126
 Vib (V=0)    4  0.138597D+01          0.141755          0.326403
 Vib (V=0)    5  0.130338D+01          0.115071          0.264960
 Vib (V=0)    6  0.130221D+01          0.114681          0.264063
 Vib (V=0)    7  0.119666D+01          0.077970          0.179533
 Vib (V=0)    8  0.118835D+01          0.074943          0.172564
 Vib (V=0)    9  0.117923D+01          0.071597          0.164859
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116293D+06          5.065552         11.663865
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111  1                                         
   000000                            2222 21                          544 43333  222 0000  09  9 888 77  6         333  3 222 1      
   888642                            8884 07                          097 13322  330 9877  09  2 720 65  7         987  0 630 6      
   542441                            6535 70                          193 28220  721 9486  75  1 476 83  9         024  2 507 2      
 
   XXXXXX                            XXXX XX                          XXX XXXXX  XXX XXXX  XX  X XXX XX            X                 
   XXXXXX                            XXXX XX                          XX  X  XX   X   X                                              
   XXXXXX                            XXXX XX                                      X                                                  
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX                                                                                              
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  XX                                                                                                                            
   XX   X                                                                                                                            
   XX   X                                                                                                                            
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.679363D+02  0.106337D-03  0.340185D-03
      2   0.106337D-03  0.679356D+02 -0.298370D-03
      3   0.340185D-03 -0.298370D-03  0.679361D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.359369D-03 -0.120539D-02 -0.143518D-02
      2  -0.119719D-02 -0.762062D-04 -0.512768D-03
      3   0.100980D-02  0.132700D-02  0.100110D-05
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.353164D+00  0.177691D-01  0.127565D+01
      2   0.161888D+01 -0.993499D+00 -0.464835D+00
      3  -0.126572D+01  0.975730D+00 -0.810812D+00
      4   0.158684D-01  0.161883D+01  0.171697D+01
      5   0.127623D+01  0.171700D+01 -0.126415D+01
      6   0.171739D+01 -0.463580D+00  0.972692D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.122523D+01  0.761331D-01  0.451718D+01  0.781530D-01  0.572105D+01
      2   0.761331D-01  0.571069D+01  0.608168D+01  0.572105D+01 -0.351140D+01
      3   0.451718D+01  0.608168D+01 -0.447919D+01  0.607973D+01 -0.165770D+01
                 6             7             8             9            10 
      1   0.607973D+01  0.451140D+01  0.608193D+01 -0.447934D+01 -0.777458D+00
      2  -0.165770D+01  0.608193D+01 -0.166276D+01  0.343555D+01 -0.562198D-01
      3   0.343889D+01 -0.447934D+01  0.343555D+01 -0.284490D+01 -0.294601D+01
                11            12            13            14            15 
      1  -0.562198D-01 -0.294601D+01  0.324268D+00 -0.511652D+01 -0.433174D+01
      2  -0.373511D+01 -0.433149D+01 -0.511652D+01  0.148161D+01  0.220890D+01
      3  -0.433149D+01  0.384004D+01 -0.433174D+01  0.220890D+01 -0.200628D+01
                16            17            18            19            20 
      1  -0.408460D+01 -0.433400D+01  0.246322D+01  0.250017D+01  0.293898D+00
      2  -0.433400D+01  0.107085D+01 -0.239435D+01  0.293898D+00 -0.450701D+01
      3   0.246322D+01 -0.239435D+01  0.356235D+01 -0.271734D+01 -0.460211D+01
                21            22            23            24            25 
      1  -0.271734D+01 -0.836004D+00 -0.333280D+01 -0.460232D+01 -0.353970D+01
      2  -0.460211D+01 -0.333280D+01  0.400020D+01  0.138807D+01 -0.460020D+01
      3   0.257674D+01 -0.460232D+01  0.138807D+01 -0.261031D+01  0.375166D+01
                26            27            28            29            30 
      1  -0.460020D+01  0.375166D+01  0.235123D+01 -0.106180D+01 -0.326900D+01
      2   0.560304D+00 -0.148236D+01 -0.106180D+01 -0.483661D+01 -0.433708D+01
      3  -0.148236D+01  0.338534D+01 -0.326900D+01 -0.433708D+01  0.289949D+01
                31            32            33            34            35 
      1   0.486134D+00 -0.397916D+01 -0.433790D+01 -0.280795D+01 -0.433973D+01
      2  -0.397916D+01  0.942412D+00  0.120343D+01 -0.433973D+01  0.166920D+01
      3  -0.433790D+01  0.120343D+01 -0.217879D+01  0.376174D+01 -0.372631D+01
                36            37            38            39            40 
      1   0.376174D+01 -0.481059D+00  0.618093D+00 -0.420936D+01 -0.185445D+00
      2  -0.372631D+01  0.618093D+00 -0.356093D+01 -0.444137D+01 -0.422549D+01
      3   0.910866D+00 -0.420936D+01 -0.444137D+01  0.372326D+01 -0.444252D+01
                41            42            43            44            45 
      1  -0.422549D+01 -0.444252D+01 -0.270266D+01 -0.444323D+01  0.306159D+01
      2   0.378287D+01  0.205948D-01 -0.444323D+01  0.152983D+01 -0.240735D+01
      3   0.205948D-01 -0.321723D+01  0.306159D+01 -0.240735D+01  0.442943D+00
                46            47            48            49            50 
      1  -0.653443D+00  0.456176D+00 -0.661078D+00  0.687345D+00  0.302634D+00
      2   0.456176D+00 -0.552769D+00  0.111311D+01  0.302634D+00  0.187773D+01
      3  -0.661078D+00  0.111311D+01 -0.240208D+01  0.379717D+00 -0.218079D+01
                51            52            53            54            55 
      1   0.379717D+00 -0.101276D+01  0.426022D+00 -0.354667D+00  0.330141D+01
      2  -0.218079D+01  0.426022D+00 -0.206174D+01  0.263788D+01 -0.184304D+01
      3   0.286113D+01 -0.354667D+00  0.263788D+01 -0.730248D+01 -0.107097D+01
                56            57            58            59            60 
      1  -0.184304D+01 -0.107097D+01 -0.336497D+01  0.299304D+01  0.186405D+01
      2   0.216180D+01  0.106818D+01  0.299304D+01 -0.457189D+01 -0.183615D+01
      3   0.106818D+01  0.839103D+00  0.186405D+01 -0.183615D+01 -0.194104D+01
                61            62            63            64            65 
      1  -0.673690D+00  0.984972D+00  0.956483D+00  0.510291D+01  0.248280D+01
      2   0.984972D+00 -0.112449D+01 -0.906691D+00  0.248280D+01  0.245689D+01
      3   0.956483D+00 -0.906691D+00 -0.177356D+01  0.842563D+00  0.753614D+00
                66            67            68            69            70 
      1   0.842563D+00  0.315994D+01  0.297087D+01  0.691841D+00  0.261487D+01
      2   0.753614D+00  0.297087D+01  0.318962D+01  0.364536D+00  0.152317D+01
      3   0.799023D+00  0.691841D+00  0.364536D+00  0.120362D+01  0.832071D+00
                71            72            73            74            75 
      1   0.152317D+01  0.832071D+00 -0.237408D+01  0.291324D+00 -0.168614D+01
      2   0.135365D+01  0.100742D+01  0.291324D+00 -0.254611D+00  0.677427D+00
      3   0.100742D+01  0.843928D+00 -0.168614D+01  0.677427D+00 -0.225712D+01
                76            77            78            79            80 
      1   0.139822D+01 -0.368756D+00  0.148335D+01 -0.219323D+01  0.605887D+00
      2  -0.368756D+00  0.764290D+00 -0.122784D+01  0.605887D+00 -0.141735D+01
      3   0.148335D+01 -0.122784D+01  0.249951D+01 -0.305226D+01  0.895066D+00
                81            82            83            84            85 
      1  -0.305226D+01 -0.628913D+01 -0.199996D+01  0.196988D+01 -0.117776D+01
      2   0.895066D+00 -0.199996D+01 -0.135656D+01  0.881804D+00 -0.109328D+01
      3  -0.661476D+01  0.196988D+01  0.881804D+00 -0.192238D+01  0.803579D+00
                86            87            88            89            90 
      1  -0.109328D+01  0.803579D+00  0.371480D+01  0.163748D+01 -0.217301D+01
      2  -0.159205D+01  0.460371D+00  0.163748D+01  0.140827D+01 -0.678168D+00
      3   0.460371D+00 -0.311542D+00 -0.217301D+01 -0.678168D+00  0.188331D+01
                91            92            93            94            95 
      1   0.992107D+00 -0.127496D+01 -0.246308D+00 -0.140388D+01  0.118521D+01
      2  -0.127496D+01  0.321205D+01  0.129589D+01  0.118521D+01 -0.766795D+01
      3  -0.246308D+00  0.129589D+01  0.810455D+00  0.570687D+00 -0.225320D+01
                96            97            98            99           100 
      1   0.570687D+00 -0.166292D+00  0.612657D+00 -0.203953D-01 -0.209909D+01
      2  -0.225320D+01  0.612657D+00 -0.168920D+01 -0.139956D+01  0.148240D+01
      3  -0.156902D+01 -0.203953D-01 -0.139956D+01 -0.156020D+01 -0.994489D+00
               101           102           103           104           105 
      1   0.148240D+01 -0.994489D+00  0.109036D+01 -0.104302D+01  0.108803D+01
      2  -0.107980D+01  0.116039D+01 -0.104302D+01  0.308332D+01 -0.177361D+01
      3   0.116039D+01 -0.155555D+01  0.108803D+01 -0.177361D+01  0.183222D+01
               106           107           108           109           110 
      1  -0.191210D+01  0.192007D+01 -0.202785D+01  0.206880D+01  0.187388D+01
      2   0.192007D+01 -0.347877D+01  0.271677D+01  0.187388D+01  0.377655D+01
      3  -0.202785D+01  0.271677D+01 -0.418660D+01  0.133772D+01  0.174980D+01
               111           112           113           114           115 
      1   0.133772D+01  0.144396D+01  0.178855D+01  0.101611D+01  0.127207D+01
      2   0.174980D+01  0.178855D+01  0.494171D+01  0.184057D+01  0.107230D+01
      3   0.138839D+01  0.101611D+01  0.184057D+01  0.174903D+01  0.582593D+00
               116           117           118           119           120 
      1   0.107230D+01  0.582593D+00 -0.565672D+01  0.655022D+00  0.308875D+01
      2   0.227670D+01  0.217688D+01  0.655022D+00 -0.911575D+00  0.236178D-01
      3   0.217688D+01  0.207091D+01  0.308875D+01  0.236178D-01 -0.283102D+01
               121           122           123           124           125 
      1  -0.987748D+00 -0.333254D+00  0.830798D+00  0.333569D+01 -0.556566D-01
      2  -0.333254D+00 -0.259383D+00  0.419086D+00 -0.556566D-01  0.946814D+00
      3   0.830798D+00  0.419086D+00 -0.488509D+00 -0.292886D+01  0.669631D+00
               126           127           128           129           130 
      1  -0.292886D+01  0.249014D+01 -0.223684D+01  0.527125D+00 -0.240745D+01
      2   0.669631D+00 -0.223684D+01  0.295843D+01  0.157529D+00  0.314115D+01
      3   0.337932D+01  0.527125D+00  0.157529D+00  0.488515D+00  0.899645D-01
               131           132           133           134           135 
      1   0.314115D+01  0.899645D-01 -0.491871D+00  0.927010D+00  0.186703D+00
      2  -0.691358D+01  0.419481D+00  0.927010D+00 -0.140084D+01 -0.539137D+00
      3   0.419481D+00 -0.115771D+01  0.186703D+00 -0.539137D+00 -0.367863D+00
               136           137           138           139           140 
      1  -0.319822D+01 -0.102129D+01  0.277590D+01 -0.654178D+00 -0.426873D+00
      2  -0.102129D+01 -0.120851D+01  0.160082D+01 -0.426873D+00 -0.138450D+01
      3   0.277590D+01  0.160082D+01 -0.423655D+01  0.871206D+00  0.120892D+01
               141           142           143           144           145 
      1   0.871206D+00  0.212670D+01  0.923251D+00 -0.226703D+01  0.394766D+01
      2   0.120892D+01  0.923251D+00  0.107513D+01 -0.121028D+01  0.126437D+01
      3  -0.872450D+00 -0.226703D+01 -0.121028D+01  0.497519D+01  0.274157D+01
               146           147           148           149           150 
      1   0.126437D+01  0.274157D+01  0.234905D+01  0.181667D+01  0.194540D+01
      2   0.172708D+01  0.114820D+01  0.181667D+01  0.183700D+01  0.139534D+01
      3   0.114820D+01  0.231888D+01  0.194540D+01  0.139534D+01  0.276849D+01
               151           152           153 
      1   0.200932D+01  0.105807D+01  0.170736D+01
      2   0.105807D+01  0.944415D+00  0.120503D+01
      3   0.170736D+01  0.120503D+01  0.319621D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.860457D-02  0.292507D-02  0.757696D-02  0.470713D-02 -0.130694D-01
      2   0.832556D-02  0.145142D-01  0.482025D+01  0.108687D-01  0.122800D-02
      3  -0.213182D-01 -0.482141D+01 -0.508623D-02  0.481754D+01 -0.206290D-01
                 6             7             8             9            10 
      1  -0.481518D+01  0.170799D-01  0.481070D+01 -0.893138D-02  0.119344D+01
      2   0.260663D-02 -0.481310D+01 -0.452362D-02  0.430398D-02 -0.711811D+01
      3  -0.727130D-02  0.153130D-02  0.167377D-02 -0.149128D-01 -0.968251D+00
                11            12            13            14            15 
      1   0.689118D+01  0.375948D+01  0.862488D+01 -0.188300D+01 -0.432878D+01
      2  -0.630671D+01  0.337205D+01 -0.582700D+01 -0.275606D+01 -0.796169D+01
      3   0.448485D+01  0.511390D+01  0.101646D+02 -0.321263D+01 -0.586840D+01
                16            17            18            19            20 
      1   0.434934D+01  0.680727D+00  0.709167D+00 -0.327452D+01 -0.208147D+01
      2  -0.356640D+01 -0.855253D+01  0.986139D+01  0.658702D+01  0.631042D+01
      3   0.463411D+01 -0.413609D+01  0.420300D+01 -0.433421D+01 -0.734688D+01
                21            22            23            24            25 
      1   0.749999D+01 -0.316045D+01 -0.305119D+01 -0.544988D+01  0.897022D+01
      2  -0.389299D+01  0.527919D+01 -0.434264D+01 -0.158630D+01 -0.958182D+01
      3  -0.303700D+01 -0.100151D+01  0.102662D+02  0.750377D+01 -0.200325D+01
                26            27            28            29            30 
      1   0.121406D+00  0.631392D+01  0.451383D+01  0.467777D+01 -0.728656D+01
      2  -0.306032D+01 -0.226129D+01  0.115031D+01  0.472338D+01  0.414114D+00
      3   0.642405D+01 -0.590753D+01  0.459043D+01 -0.880650D+01 -0.923788D+01
                31            32            33            34            35 
      1   0.511792D+01 -0.241789D+01  0.356805D+01 -0.875271D+01  0.986289D+01
      2   0.393638D+01  0.798636D+00  0.470275D+01 -0.406089D+01  0.617514D+01
      3  -0.193395D+01 -0.717543D+01 -0.591759D+01 -0.845128D+01 -0.547641D+01
                36            37            38            39            40 
      1  -0.207902D+01 -0.242177D+01 -0.948090D+01 -0.399827D+01 -0.105760D+02
      2  -0.192350D+01 -0.623529D+00 -0.474353D+01  0.118526D+02 -0.341229D+01
      3   0.257713D+01  0.727785D+00 -0.853291D-01  0.716506D+01  0.453284D+01
                41            42            43            44            45 
      1   0.735855D+01 -0.554962D+01 -0.458695D+01  0.108635D+01 -0.495017D+01
      2   0.629845D+01  0.486298D+01  0.545701D+01  0.545053D+01 -0.568648D+01
      3   0.127772D+00  0.427711D+01  0.583776D+01  0.317961D+01 -0.862750D+00
                46            47            48            49            50 
      1  -0.298825D+00  0.921516D+00  0.868790D-01 -0.421028D+00 -0.220706D+01
      2  -0.271281D+01  0.179308D+01 -0.243796D+01  0.283231D+01 -0.244976D+01
      3  -0.139554D+01 -0.662273D-01 -0.149836D+01  0.144474D+01 -0.197872D+01
                51            52            53            54            55 
      1  -0.138910D+00 -0.439353D+00  0.419738D+01  0.719727D+00  0.251246D+01
      2   0.448755D+01 -0.529749D+01  0.435218D+01 -0.999016D+01  0.253840D+01
      3   0.284025D+01 -0.237735D+01  0.287049D+01 -0.392796D+01  0.267320D+01
                56            57            58            59            60 
      1  -0.389109D+01 -0.719082D+00 -0.363410D+01  0.695754D+01  0.366377D-01
      2  -0.542249D+00  0.166754D+01 -0.203824D+01  0.950023D+00 -0.191694D+01
      3  -0.582837D+01 -0.194893D+01 -0.248484D+01  0.906928D+01  0.268905D+01
                61            62            63            64            65 
      1  -0.157537D+01  0.289583D+01  0.942593D+00 -0.323994D+01 -0.296846D+01
      2  -0.836800D+00  0.130555D+00 -0.163234D+01  0.625243D+01  0.418547D+01
      3  -0.139813D+01  0.278009D+01  0.147173D+01 -0.454407D+00 -0.484503D+01
                66            67            68            69            70 
      1  -0.261311D+01 -0.335808D+01 -0.309786D+01 -0.306456D+01 -0.173419D+01
      2   0.474965D+01  0.423682D+01  0.388114D+01  0.430989D+01  0.231118D+01
      3  -0.964258D+00 -0.828461D+00 -0.428594D+01 -0.494082D+00 -0.230291D+00
                71            72            73            74            75 
      1  -0.821548D+00 -0.227949D+01 -0.203862D+01  0.210417D+01 -0.333582D+01
      2   0.289310D+01  0.315511D+01 -0.829483D+00 -0.694486D+00  0.293201D+01
      3  -0.209434D+01 -0.117092D+01  0.242851D+01 -0.207894D+01  0.270890D+01
                76            77            78            79            80 
      1   0.148958D+01 -0.311046D+01  0.249569D+01 -0.373196D+01  0.559490D+01
      2   0.513405D+00  0.124631D+01 -0.213949D+01 -0.107482D+01 -0.924810D+00
      3  -0.488278D+00  0.196014D+01 -0.272292D+01  0.264402D+01 -0.393573D+01
                81            82            83            84            85 
      1  -0.753456D+01  0.400777D+01  0.116699D+01 -0.410489D+01  0.179156D+01
      2   0.616631D+01 -0.646242D+01 -0.253272D+01  0.711926D+01 -0.206211D+01
      3   0.467449D+01  0.523163D+01 -0.199800D+01 -0.145682D+01  0.148349D+01
                86            87            88            89            90 
      1   0.126192D+01 -0.179681D+01 -0.338737D+01  0.209615D-02  0.334121D+01
      2  -0.128347D+01  0.177974D+01  0.369113D+01  0.159898D+01 -0.556237D+01
      3  -0.111977D+01 -0.535955D+00 -0.270647D+01  0.129627D+01  0.180052D+01
                91            92            93            94            95 
      1   0.864035D+00 -0.148290D+01  0.971738D+00 -0.575517D+00  0.444397D+01
      2   0.162932D+01 -0.220817D+01  0.188024D+00 -0.301022D+01  0.379278D+01
      3  -0.395746D+01  0.354847D+01  0.135221D+01  0.676935D+01 -0.966351D+01
                96            97            98            99           100 
      1  -0.285995D+01 -0.603626D+00  0.119981D+01 -0.123060D+01  0.201705D+01
      2   0.171637D+01 -0.123193D+01  0.193546D+01  0.131573D+01  0.875312D+00
      3  -0.320400D+01  0.178142D+01 -0.290887D+01 -0.136303D+01 -0.232373D+01
               101           102           103           104           105 
      1  -0.178509D+01  0.406232D+01 -0.237610D+01  0.314056D+01 -0.575893D+01
      2  -0.160717D+01  0.321403D+01 -0.759285D+00  0.203847D+01 -0.304077D+01
      3  -0.164886D+00 -0.380177D+00  0.248429D+01  0.142159D+01  0.354281D+00
               106           107           108           109           110 
      1   0.362064D+01 -0.275175D+01  0.931355D+01 -0.131512D+01 -0.702656D-01
      2   0.168805D+00 -0.276051D+01  0.567231D+01 -0.302338D+01 -0.207052D+01
      3  -0.253841D+01 -0.101238D+01 -0.863808D+00  0.634576D+01  0.373664D+01
               111           112           113           114           115 
      1  -0.256086D+01 -0.977173D+00  0.122284D+00 -0.411874D+01 -0.450765D+00
      2  -0.226452D+00 -0.269920D+01 -0.249210D+01 -0.135350D+01 -0.262123D+01
      3   0.337663D+01  0.654671D+01  0.604729D+01  0.345499D+01  0.437213D+01
               116           117           118           119           120 
      1  -0.623970D+00 -0.286946D+01 -0.460193D+01 -0.218085D+01  0.477916D+01
      2  -0.210206D+01 -0.121836D+01  0.114490D+01 -0.389718D+00  0.351736D+01
      3   0.316527D+01  0.258457D+01 -0.793749D+01 -0.288570D+01  0.496983D+01
               121           122           123           124           125 
      1  -0.106254D+01 -0.120027D+01 -0.545420D-01  0.435705D+01  0.179095D+01
      2   0.680071D-01 -0.240872D+00  0.338950D+00 -0.937766D+00 -0.438864D+00
      3  -0.496271D+00 -0.130738D+01  0.130066D+01  0.546231D+01  0.258186D+01
               126           127           128           129           130 
      1  -0.461110D+01 -0.278811D+01  0.498919D+01  0.213028D+01  0.484267D+01
      2  -0.276908D+01 -0.297801D+01  0.330593D+01  0.131742D+01  0.378213D+01
      3  -0.394459D+01 -0.157520D+01 -0.178382D+01 -0.547673D+00  0.265874D+01
               131           132           133           134           135 
      1  -0.985223D+01 -0.395853D+01  0.115496D+01 -0.122307D+01 -0.183373D+01
      2  -0.463694D+01 -0.252618D+01 -0.196265D+00 -0.138267D+01 -0.969969D+00
      3   0.311242D+01 -0.223319D+00  0.288831D+00  0.410925D+00  0.231964D+00
               136           137           138           139           140 
      1   0.754638D+00 -0.202171D+01 -0.150600D+01  0.255020D+00 -0.144989D+01
      2   0.846072D+01  0.213335D+01 -0.428655D+01  0.233587D+01  0.115769D+01
      3   0.397012D+01 -0.544152D+00 -0.288430D+01  0.181040D+01  0.632006D+00
               141           142           143           144           145 
      1  -0.239726D+00 -0.445368D+00  0.281446D+01  0.250683D+01  0.412422D+01
      2  -0.184475D+01 -0.757277D+01 -0.224348D+01  0.553640D+01 -0.489832D+01
      3  -0.138075D+01 -0.325146D+01 -0.481256D+00  0.270331D+01 -0.299982D+01
               146           147           148           149           150 
      1   0.520898D+01  0.282719D+01  0.401399D+01  0.499791D+01  0.206603D+01
      2  -0.137067D+01 -0.352595D+00 -0.318663D+01 -0.196289D+01  0.168774D+00
      3  -0.448305D+01 -0.272618D+01 -0.151046D+01 -0.387271D+01 -0.206516D+01
               151           152           153 
      1   0.323836D+01  0.433117D+01  0.355021D+01
      2  -0.380581D+01 -0.106609D+01  0.301348D+00
      3  -0.206547D+01 -0.266516D+01 -0.219120D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.514606D+01 -0.337695D+01  0.308114D+01 -0.337744D+01 -0.208870D+01
      2  -0.210953D+01  0.360802D+01 -0.145287D+01  0.360682D+01  0.198388D+01
      3  -0.303654D+01 -0.231074D+00 -0.162827D+01 -0.229381D+00  0.104824D+00
      4  -0.339318D+01 -0.264191D+01 -0.963067D+00 -0.264176D+01  0.362269D+01
      5   0.307201D+01 -0.970630D+00 -0.357654D+01 -0.967018D+00 -0.144893D+01
      6  -0.968344D+00 -0.144872D+01 -0.241320D+00 -0.144858D+01 -0.427042D+01
                 6             7             8             9            10 
      1  -0.960369D+00  0.309696D+01 -0.945317D+00 -0.304688D+01 -0.606032D+01
      2  -0.425464D+01 -0.144759D+01 -0.424643D+01  0.111973D+00 -0.401338D+01
      3   0.521501D+01 -0.164937D+01  0.519174D+01  0.293491D+01  0.100737D+02
      4  -0.144654D+01 -0.945645D+00 -0.145095D+01 -0.249949D+00 -0.144056D+01
      5  -0.233227D+00 -0.358375D+01 -0.231303D+00 -0.163901D+01 -0.615361D+01
      6  -0.432607D+00 -0.245127D+00 -0.439259D+00  0.520371D+01 -0.438481D+01
                11            12            13            14            15 
      1  -0.444661D+01 -0.241618D+01 -0.468391D+01 -0.873239D+01 -0.149381D+02
      2  -0.669297D+01  0.371748D+01 -0.560915D+01  0.541750D+01  0.180227D+01
      3   0.111396D+02 -0.130130D+01  0.102931D+02  0.331488D+01  0.131359D+02
      4  -0.134391D+02 -0.105923D+02 -0.142100D+02  0.245639D+01  0.175245D+01
      5  -0.915971D+01  0.647867D+01 -0.996367D+01  0.716514D+01  0.317082D+01
      6   0.470203D+01  0.908880D+01  0.507800D+01 -0.392515D+01 -0.729848D+01
                16            17            18            19            20 
      1  -0.257332D+01 -0.151827D+02  0.147875D+02 -0.930000D+01 -0.935327D+01
      2   0.316068D+01  0.254234D+01 -0.140510D+01  0.293071D+01  0.643782D+01
      3  -0.587363D+00  0.126404D+02 -0.133824D+02  0.636929D+01  0.291545D+01
      4  -0.116433D+02  0.829258D+00 -0.990730D+00 -0.416547D+01  0.180540D+01
      5   0.670276D+01  0.256831D+01 -0.101188D+01  0.541067D+01  0.770139D+01
      6   0.764185D+01 -0.740587D+01  0.832715D+01  0.700444D+01  0.113927D+02
                21            22            23            24            25 
      1   0.573670D+01 -0.955703D+01  0.147725D+02  0.984307D+01  0.626636D+01
      2   0.937513D+01  0.544790D+01 -0.151319D+02 -0.115143D+02  0.849485D+01
      3  -0.151118D+02  0.410913D+01  0.359379D+00  0.167120D+01 -0.147612D+02
      4   0.116530D+02  0.270472D+01  0.348425D+01  0.514555D+01  0.124351D+02
      5  -0.644858D+01  0.782881D+01  0.443298D+01  0.838745D+01 -0.751977D+01
      6   0.485385D-01  0.103866D+02 -0.785871D+01 -0.168692D+01  0.123887D+00
                26            27            28            29            30 
      1   0.105053D+02 -0.547823D+01 -0.350016D+01  0.755064D+01  0.115088D+02
      2  -0.116658D+02  0.121963D+02  0.535174D+01 -0.976149D+01 -0.178552D+02
      3   0.116045D+01 -0.671803D+01 -0.185158D+01  0.221085D+01  0.634637D+01
      4   0.527580D+01  0.664682D+00  0.264186D+01 -0.578517D+00 -0.216277D+01
      5   0.726171D+01 -0.984692D+01  0.700794D+01  0.328314D+01 -0.109816D+02
      6  -0.909781D+00  0.859130D+00 -0.559827D+01 -0.140584D+02  0.479753D+01
                31            32            33            34            35 
      1   0.771167D+01  0.576814D+01  0.619974D+01  0.120551D+02  0.528385D+01
      2  -0.940162D+01 -0.245766D+01 -0.176915D+00 -0.176938D+02 -0.261822D+00
      3   0.168995D+01 -0.331048D+01 -0.602283D+01  0.563867D+01 -0.502202D+01
      4  -0.165643D+00 -0.112016D+02 -0.121172D+02 -0.157872D+01 -0.129471D+02
      5   0.478317D+01 -0.719226D+01  0.115762D+01 -0.111227D+02  0.223450D+01
      6  -0.130703D+02  0.250975D+01 -0.954664D+01  0.534968D+01 -0.100064D+02
                36            37            38            39            40 
      1  -0.225781D+01  0.306094D+01  0.185173D+01 -0.107928D+02  0.213449D+01
      2  -0.289732D+01  0.424502D+01  0.147534D+02  0.287890D+01  0.143002D+02
      3   0.515513D+01 -0.730596D+01 -0.166051D+02  0.791389D+01 -0.164346D+02
      4   0.856604D+01 -0.142635D+01 -0.808104D+01 -0.137228D+00 -0.861095D+01
      5   0.184959D+00 -0.223427D+01 -0.305779D+01 -0.105752D+02 -0.388575D+01
      6   0.309464D+01  0.174834D+01 -0.392735D+01 -0.142518D+02 -0.427598D+01
                41            42            43            44            45 
      1  -0.330053D+01 -0.236220D+01 -0.117264D+02 -0.187784D+01  0.242697D+00
      2  -0.773588D+01  0.435770D+01  0.414445D+01  0.385284D+01  0.349570D+01
      3   0.110364D+02 -0.199550D+01  0.758190D+01 -0.197500D+01 -0.373839D+01
      4   0.997524D+01  0.333246D+01 -0.472921D+00  0.495013D+01 -0.854103D+01
      5  -0.627713D+01 -0.130486D+02 -0.956605D+01 -0.123909D+02  0.852772D+01
      6   0.375396D+01  0.113454D+01 -0.134330D+02  0.922182D+00 -0.549094D+01
                46            47            48            49            50 
      1  -0.133404D+01  0.338671D+01 -0.592287D+01  0.300436D+01 -0.605126D+01
      2  -0.618255D+00 -0.105115D+01 -0.157364D+01 -0.839616D+00  0.238859D+01
      3   0.195229D+01 -0.233556D+01  0.749651D+01 -0.216475D+01  0.366267D+01
      4  -0.758801D+00  0.232879D+01 -0.241063D+00  0.386585D+01  0.234120D+01
      5   0.290163D+01 -0.792566D+00  0.315494D+01 -0.158427D+01 -0.284041D+01
      6  -0.191198D+01  0.297719D+01 -0.398422D+01  0.167952D+00 -0.899762D+01
                51            52            53            54            55 
      1   0.985765D+01 -0.450214D+01  0.953299D+01 -0.206650D+02  0.133349D+02
      2   0.417352D-02  0.126323D+01 -0.196952D+00 -0.106566D+02 -0.754800D+01
      3  -0.986182D+01  0.323890D+01 -0.933604D+01  0.313216D+02 -0.578689D+01
      4  -0.293947D+01 -0.615912D+00 -0.358519D+01  0.380472D+01 -0.807878D+01
      5   0.380552D+01  0.557935D+01  0.318280D+01 -0.956574D+01 -0.994512D+01
      6   0.121134D+02 -0.140506D+01  0.118712D+02 -0.159742D+02  0.487435D+01
                56            57            58            59            60 
      1  -0.606264D+01 -0.319426D+01 -0.906271D+01  0.320544D+01  0.147791D+01
      2   0.485352D+01  0.406488D+01  0.605938D+01  0.639575D+00 -0.399907D+01
      3   0.120912D+01 -0.870623D+00  0.300333D+01 -0.384501D+01  0.252116D+01
      4   0.109708D+02  0.423431D+01  0.124626D+02 -0.158179D+02 -0.524944D+01
      5   0.699489D+01  0.726035D+01  0.103215D+02 -0.794678D+01 -0.890468D+01
      6  -0.552496D+01 -0.351722D+01 -0.663403D+01  0.122046D+02  0.764756D+01
                61            62            63            64            65 
      1  -0.192854D+01  0.193623D+01 -0.132438D+01  0.229383D+02  0.951254D+01
      2   0.374875D+01 -0.300004D+01 -0.384439D+01 -0.637579D+01  0.930888D+00
      3  -0.182021D+01  0.106381D+01  0.516878D+01 -0.165625D+02 -0.104434D+02
      4   0.370193D+01 -0.368887D+01 -0.352297D+01  0.153773D+02  0.139468D+02
      5   0.705186D+01 -0.562670D+01 -0.693414D+01 -0.205296D+01 -0.536839D-01
      6  -0.392330D+01  0.674962D+01  0.304675D+01 -0.168186D+01 -0.302848D+01
                66            67            68            69            70 
      1   0.413283D+01  0.108600D+02  0.520994D+01  0.330830D+01  0.822442D+01
      2  -0.187147D-01  0.803454D+00  0.588209D+01  0.179310D+01 -0.205193D+01
      3  -0.411411D+01 -0.116634D+02 -0.110920D+02 -0.510141D+01 -0.617249D+01
      4   0.355258D+01  0.152913D+02  0.142481D+02  0.221677D+01  0.631804D+01
      5   0.476257D+01 -0.942427D+00 -0.117635D+01  0.365405D+01  0.361510D+01
      6   0.341564D+00 -0.275428D+01 -0.198080D+01  0.350817D+01  0.577620D+00
                71            72            73            74            75 
      1   0.338346D+01  0.125227D+01  0.753502D+01 -0.491040D+00  0.353119D+01
      2   0.219810D+01 -0.285908D+00 -0.824053D+01  0.174238D+01 -0.903739D+01
      3  -0.558157D+01 -0.966366D+00  0.705508D+00 -0.125134D+01  0.550621D+01
      4   0.543706D+01  0.364797D+01  0.156598D+01  0.304368D+01 -0.586408D+00
      5   0.265190D+01  0.438084D+01  0.100505D+02 -0.286752D+01  0.131685D+02
      6   0.231350D+01  0.110611D+01  0.344834D+00  0.207659D+00  0.224484D+01
                76            77            78            79            80 
      1  -0.258840D+01 -0.163030D+01 -0.504259D+00  0.385940D+01 -0.186571D+01
      2   0.352056D+01 -0.655844D+00  0.720769D+01 -0.103982D+02  0.608640D+01
      3  -0.932168D+00  0.228615D+01 -0.670343D+01  0.653885D+01 -0.422070D+01
      4   0.220754D+01 -0.354054D+01  0.281886D+01  0.393384D+00  0.379353D+01
      5  -0.578511D+01  0.318182D+01 -0.688179D+01  0.148259D+02 -0.331597D+01
      6   0.605073D+00 -0.239989D+01  0.351231D+01  0.236573D+01  0.495595D+01
                81            82            83            84            85 
      1  -0.322626D+01  0.264972D+02  0.601018D+01 -0.820029D+01  0.431637D+01
      2  -0.194714D+02 -0.817299D+01  0.130949D+01  0.588414D+00  0.176477D+01
      3   0.226977D+02 -0.183242D+02 -0.731967D+01  0.761188D+01 -0.608114D+01
      4   0.620684D-01  0.176449D+02  0.108289D+02 -0.606451D+01  0.951281D+01
      5   0.215825D+02 -0.401826D+01 -0.144544D+01  0.765832D+01 -0.121011D+01
      6   0.459066D+01 -0.396780D+01 -0.199187D+01  0.465617D+01 -0.253250D+01
                86            87            88            89            90 
      1   0.704823D+00 -0.206506D+01 -0.118215D+02 -0.211834D+01  0.498213D+01
      2   0.455338D+01 -0.116288D+00  0.252597D+01 -0.170277D+01 -0.324418D+01
      3  -0.525820D+01  0.218134D+01  0.929552D+01  0.382111D+01 -0.173795D+01
      4   0.665967D+01 -0.406451D+01 -0.945470D+01 -0.711083D+01  0.467636D+01
      5  -0.181303D+01  0.534525D+00  0.745294D+01  0.158395D+01 -0.671043D+01
      6  -0.236181D+00  0.329883D+01  0.449151D+01  0.321556D+01 -0.573636D+01
                91            92            93            94            95 
      1  -0.163378D+01  0.839143D+01  0.254792D+01  0.675104D+01 -0.226414D+02
      2   0.358168D+01 -0.104351D+02 -0.208997D+01 -0.617435D+01  0.331194D+02
      3  -0.194791D+01  0.204366D+01 -0.457955D+00 -0.576691D+00 -0.104780D+02
      4  -0.378938D+01  0.413295D+01  0.264787D+00  0.572071D+01  0.449214D+01
      5  -0.301230D+01  0.179452D+01  0.215443D+01  0.238795D+01 -0.284683D+00
      6   0.220129D+01 -0.633917D+01 -0.462912D+01 -0.325119D+01  0.180753D+02
                96            97            98            99           100 
      1  -0.822829D+01  0.125311D+01 -0.740052D+01 -0.487406D+01  0.466936D+01
      2   0.729602D+01 -0.189038D+01  0.618705D+01  0.191917D+01  0.284215D+00
      3   0.932265D+00  0.637275D+00  0.121347D+01  0.295489D+01 -0.495357D+01
      4   0.119752D+01  0.333426D-03  0.109923D+01  0.338305D+00 -0.895052D+01
      5   0.566842D+00  0.313709D+01 -0.241684D+00  0.161094D+01  0.344406D+01
      6   0.112437D+02 -0.184221D+01  0.104523D+02  0.688292D+01 -0.357734D+01
               101           102           103           104           105 
      1  -0.182745D+01  0.110439D+01 -0.105403D+01 -0.567511D+01  0.150395D+01
      2  -0.318220D+01  0.274575D+01 -0.364333D+01  0.138550D+02 -0.662740D+01
      3   0.500964D+01 -0.385014D+01  0.469736D+01 -0.817991D+01  0.512346D+01
      4   0.891158D+01 -0.550084D+01  0.805696D+01 -0.915669D+01  0.706654D+01
      5  -0.317994D+01  0.697612D+01 -0.258028D+01  0.420984D+01 -0.374248D+01
      6   0.464689D+01 -0.544349D+01  0.483768D+01 -0.780615D+01  0.101217D+02
               106           107           108           109           110 
      1   0.215051D+01  0.369486D+01 -0.261607D+01 -0.242204D+01 -0.889366D+01
      2   0.256056D+01 -0.103743D+02  0.303251D+01  0.413232D+01  0.132883D+02
      3  -0.471107D+01  0.667941D+01 -0.416435D+00 -0.171028D+01 -0.439463D+01
      4  -0.872759D+01  0.102547D+02 -0.798478D+01  0.895394D+01  0.753783D+01
      5   0.735617D+01 -0.503151D+01  0.941434D+01  0.294355D+01  0.184477D+01
      6  -0.630930D+01  0.117555D+02 -0.158034D+02  0.532032D+01  0.853771D+01
               111           112           113           114           115 
      1  -0.559616D+01 -0.660733D+01 -0.161525D+02 -0.805941D+01 -0.493134D+01
      2   0.425846D+01  0.833782D+01  0.244146D+02  0.781759D+01  0.401839D+01
      3   0.133770D+01 -0.173048D+01 -0.826210D+01  0.241812D+00  0.912948D+00
      4   0.396872D+01  0.736331D+01  0.496466D+01  0.307161D+01  0.418752D+01
      5   0.369597D+01  0.121994D+01  0.154100D+01 -0.229145D-01  0.429773D+01
      6   0.674997D+01  0.579798D+01  0.130477D+02  0.110929D+02  0.368175D+01
               116           117           118           119           120 
      1  -0.890411D+01 -0.712083D+01  0.189226D+02  0.389924D+00 -0.763973D+01
      2   0.864687D+01  0.406006D+01 -0.136922D+02 -0.259694D+01  0.100391D+02
      3   0.257237D+00  0.306078D+01 -0.523038D+01  0.220701D+01 -0.239939D+01
      4   0.277608D+01  0.141388D+01 -0.121249D+02  0.642026D+01  0.645554D+01
      5   0.460712D+00  0.119240D+01 -0.160859D+02  0.934576D+00  0.136737D+02
      6   0.122390D+02  0.999091D+01  0.686083D+01 -0.164562D+01 -0.701897D+01
               121           122           123           124           125 
      1   0.281319D+01  0.525343D+00 -0.129605D+01 -0.816212D+01 -0.183065D+01
      2  -0.313101D+01 -0.329130D+00  0.307726D+01  0.103280D+02  0.304904D+01
      3   0.317822D+00 -0.196213D+00 -0.178121D+01 -0.216590D+01 -0.121839D+01
      4   0.359874D+01  0.911770D+00 -0.125077D+01  0.743303D+01 -0.256858D+01
      5  -0.188005D+01 -0.185789D+01  0.156317D+01  0.139396D+02 -0.139662D+01
      6  -0.814007D+00 -0.538113D-01  0.299722D+01 -0.638374D+01  0.522658D+01
               126           127           128           129           130 
      1   0.195910D+01  0.498534D+01 -0.216310D+01 -0.211546D+00 -0.238165D+01
      2  -0.878789D+01  0.161293D+01 -0.738378D+01 -0.128998D+01 -0.746544D+01
      3   0.682879D+01 -0.659827D+01  0.954688D+01  0.150153D+01  0.984709D+01
      4  -0.617873D+01 -0.105070D+02  0.129588D+02 -0.470031D+00  0.133986D+02
      5  -0.132073D+02  0.484436D+01 -0.380933D+01  0.457414D+01 -0.486765D+01
      6   0.712173D+01 -0.415492D+01  0.646731D+01 -0.123008D+01  0.623002D+01
               131           132           133           134           135 
      1  -0.627734D+01  0.271517D+01 -0.112665D+01  0.498469D+00 -0.706041D+00
      2   0.236399D+02  0.128656D+01 -0.100915D+01  0.399138D+01  0.132642D+01
      3  -0.173625D+02 -0.400173D+01  0.213580D+01 -0.448985D+01 -0.620378D+00
      4  -0.182565D+02  0.565610D+00  0.227151D+01 -0.249170D+01 -0.162530D+01
      5   0.588392D+01 -0.212079D+01  0.263692D+01 -0.989865D+00 -0.115658D+01
      6  -0.135947D+02  0.629162D+01 -0.545556D+00  0.340924D+01  0.912172D+00
               136           137           138           139           140 
      1  -0.226983D+01 -0.367083D+01  0.930676D+01 -0.263748D+01 -0.362768D+01
      2  -0.427579D+01  0.429664D+00  0.548993D+01 -0.394722D+00  0.245898D+01
      3   0.654562D+01  0.324116D+01 -0.147967D+02  0.303220D+01  0.116869D+01
      4   0.641012D+01  0.449215D+01 -0.410768D+01  0.455678D+01  0.739830D+00
      5  -0.126500D+02 -0.295203D+01  0.113730D+02 -0.202225D+01 -0.193122D+01
      6  -0.521296D+01 -0.676050D+01  0.917155D+01 -0.372731D+01 -0.615164D+01
               141           142           143           144           145 
      1   0.487110D+01  0.738291D+01  0.521909D+01 -0.142924D+02  0.100122D+02
      2  -0.122903D+01  0.270309D+01 -0.523346D+00 -0.971986D+01 -0.123830D+02
      3  -0.364207D+01 -0.100860D+02 -0.469575D+01  0.240123D+02  0.237084D+01
      4  -0.234145D+01 -0.357181D+01 -0.186525D+01  0.394447D+01  0.204089D+01
      5   0.296248D+01  0.104124D+02  0.325946D+01 -0.869656D+01  0.164781D+02
      6   0.815941D+01  0.622940D+01  0.808735D+01 -0.113951D+02  0.310389D+01
               146           147           148           149           150 
      1   0.319253D+01  0.302456D+01  0.435882D+01  0.700674D+00 -0.136294D+01
      2  -0.624992D+01 -0.984056D+01 -0.718149D+01 -0.146177D+01 -0.672516D+01
      3   0.305740D+01  0.681601D+01  0.282267D+01  0.761092D+00  0.808810D+01
      4   0.529826D+01  0.696627D+00  0.482473D+01  0.407732D+01  0.224235D+01
      5   0.573506D+01  0.145873D+02  0.914721D+01  0.635397D+01  0.915201D+01
      6   0.579349D+01  0.321729D+01  0.540529D+01  0.768351D+01  0.577931D+01
               151           152           153 
      1   0.248296D+01  0.711190D-01 -0.290645D+01
      2  -0.845716D+01 -0.458241D+01 -0.111201D+02
      3   0.597420D+01  0.451129D+01  0.140266D+02
      4   0.269742D+00  0.129273D+01  0.197500D+01
      5   0.127208D+02  0.602128D+01  0.118752D+02
      6   0.362597D+01  0.549897D+01  0.326380D+01
 Leave Link  716 at Thu Jan 27 11:56:20 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.679363D+02  0.106337D-03  0.340185D-03
      2   0.106337D-03  0.679356D+02 -0.298370D-03
      3   0.340185D-03 -0.298370D-03  0.679361D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.359369D-03 -0.120539D-02 -0.143518D-02
      2  -0.119719D-02 -0.762062D-04 -0.512768D-03
      3   0.100980D-02  0.132700D-02  0.100110D-05
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.353164D+00  0.177691D-01  0.127565D+01
      2   0.161888D+01 -0.993499D+00 -0.464835D+00
      3  -0.126572D+01  0.975730D+00 -0.810812D+00
      4   0.158684D-01  0.161883D+01  0.171697D+01
      5   0.127623D+01  0.171700D+01 -0.126415D+01
      6   0.171739D+01 -0.463580D+00  0.972692D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.122523D+01  0.761331D-01  0.451718D+01  0.781530D-01  0.572105D+01
      2   0.761331D-01  0.571069D+01  0.608168D+01  0.572105D+01 -0.351140D+01
      3   0.451718D+01  0.608168D+01 -0.447919D+01  0.607973D+01 -0.165770D+01
                 6             7             8             9            10 
      1   0.607973D+01  0.451140D+01  0.608193D+01 -0.447934D+01 -0.777458D+00
      2  -0.165770D+01  0.608193D+01 -0.166276D+01  0.343555D+01 -0.562198D-01
      3   0.343889D+01 -0.447934D+01  0.343555D+01 -0.284490D+01 -0.294601D+01
                11            12            13            14            15 
      1  -0.562198D-01 -0.294601D+01  0.324268D+00 -0.511652D+01 -0.433174D+01
      2  -0.373511D+01 -0.433149D+01 -0.511652D+01  0.148161D+01  0.220890D+01
      3  -0.433149D+01  0.384004D+01 -0.433174D+01  0.220890D+01 -0.200628D+01
                16            17            18            19            20 
      1  -0.408460D+01 -0.433400D+01  0.246322D+01  0.250017D+01  0.293898D+00
      2  -0.433400D+01  0.107085D+01 -0.239435D+01  0.293898D+00 -0.450701D+01
      3   0.246322D+01 -0.239435D+01  0.356235D+01 -0.271734D+01 -0.460211D+01
                21            22            23            24            25 
      1  -0.271734D+01 -0.836004D+00 -0.333280D+01 -0.460232D+01 -0.353970D+01
      2  -0.460211D+01 -0.333280D+01  0.400020D+01  0.138807D+01 -0.460020D+01
      3   0.257674D+01 -0.460232D+01  0.138807D+01 -0.261031D+01  0.375166D+01
                26            27            28            29            30 
      1  -0.460020D+01  0.375166D+01  0.235123D+01 -0.106180D+01 -0.326900D+01
      2   0.560304D+00 -0.148236D+01 -0.106180D+01 -0.483661D+01 -0.433708D+01
      3  -0.148236D+01  0.338534D+01 -0.326900D+01 -0.433708D+01  0.289949D+01
                31            32            33            34            35 
      1   0.486134D+00 -0.397916D+01 -0.433790D+01 -0.280795D+01 -0.433973D+01
      2  -0.397916D+01  0.942412D+00  0.120343D+01 -0.433973D+01  0.166920D+01
      3  -0.433790D+01  0.120343D+01 -0.217879D+01  0.376174D+01 -0.372631D+01
                36            37            38            39            40 
      1   0.376174D+01 -0.481059D+00  0.618093D+00 -0.420936D+01 -0.185445D+00
      2  -0.372631D+01  0.618093D+00 -0.356093D+01 -0.444137D+01 -0.422549D+01
      3   0.910866D+00 -0.420936D+01 -0.444137D+01  0.372326D+01 -0.444252D+01
                41            42            43            44            45 
      1  -0.422549D+01 -0.444252D+01 -0.270266D+01 -0.444323D+01  0.306159D+01
      2   0.378287D+01  0.205948D-01 -0.444323D+01  0.152983D+01 -0.240735D+01
      3   0.205948D-01 -0.321723D+01  0.306159D+01 -0.240735D+01  0.442943D+00
                46            47            48            49            50 
      1  -0.653443D+00  0.456176D+00 -0.661078D+00  0.687345D+00  0.302634D+00
      2   0.456176D+00 -0.552769D+00  0.111311D+01  0.302634D+00  0.187773D+01
      3  -0.661078D+00  0.111311D+01 -0.240208D+01  0.379717D+00 -0.218079D+01
                51            52            53            54            55 
      1   0.379717D+00 -0.101276D+01  0.426022D+00 -0.354667D+00  0.330141D+01
      2  -0.218079D+01  0.426022D+00 -0.206174D+01  0.263788D+01 -0.184304D+01
      3   0.286113D+01 -0.354667D+00  0.263788D+01 -0.730248D+01 -0.107097D+01
                56            57            58            59            60 
      1  -0.184304D+01 -0.107097D+01 -0.336497D+01  0.299304D+01  0.186405D+01
      2   0.216180D+01  0.106818D+01  0.299304D+01 -0.457189D+01 -0.183615D+01
      3   0.106818D+01  0.839103D+00  0.186405D+01 -0.183615D+01 -0.194104D+01
                61            62            63            64            65 
      1  -0.673690D+00  0.984972D+00  0.956483D+00  0.510291D+01  0.248280D+01
      2   0.984972D+00 -0.112449D+01 -0.906691D+00  0.248280D+01  0.245689D+01
      3   0.956483D+00 -0.906691D+00 -0.177356D+01  0.842563D+00  0.753614D+00
                66            67            68            69            70 
      1   0.842563D+00  0.315994D+01  0.297087D+01  0.691841D+00  0.261487D+01
      2   0.753614D+00  0.297087D+01  0.318962D+01  0.364536D+00  0.152317D+01
      3   0.799023D+00  0.691841D+00  0.364536D+00  0.120362D+01  0.832071D+00
                71            72            73            74            75 
      1   0.152317D+01  0.832071D+00 -0.237408D+01  0.291324D+00 -0.168614D+01
      2   0.135365D+01  0.100742D+01  0.291324D+00 -0.254611D+00  0.677427D+00
      3   0.100742D+01  0.843928D+00 -0.168614D+01  0.677427D+00 -0.225712D+01
                76            77            78            79            80 
      1   0.139822D+01 -0.368756D+00  0.148335D+01 -0.219323D+01  0.605887D+00
      2  -0.368756D+00  0.764290D+00 -0.122784D+01  0.605887D+00 -0.141735D+01
      3   0.148335D+01 -0.122784D+01  0.249951D+01 -0.305226D+01  0.895066D+00
                81            82            83            84            85 
      1  -0.305226D+01 -0.628913D+01 -0.199996D+01  0.196988D+01 -0.117776D+01
      2   0.895066D+00 -0.199996D+01 -0.135656D+01  0.881804D+00 -0.109328D+01
      3  -0.661476D+01  0.196988D+01  0.881804D+00 -0.192238D+01  0.803579D+00
                86            87            88            89            90 
      1  -0.109328D+01  0.803579D+00  0.371480D+01  0.163748D+01 -0.217301D+01
      2  -0.159205D+01  0.460371D+00  0.163748D+01  0.140827D+01 -0.678168D+00
      3   0.460371D+00 -0.311542D+00 -0.217301D+01 -0.678168D+00  0.188331D+01
                91            92            93            94            95 
      1   0.992107D+00 -0.127496D+01 -0.246308D+00 -0.140388D+01  0.118521D+01
      2  -0.127496D+01  0.321205D+01  0.129589D+01  0.118521D+01 -0.766795D+01
      3  -0.246308D+00  0.129589D+01  0.810455D+00  0.570687D+00 -0.225320D+01
                96            97            98            99           100 
      1   0.570687D+00 -0.166292D+00  0.612657D+00 -0.203953D-01 -0.209909D+01
      2  -0.225320D+01  0.612657D+00 -0.168920D+01 -0.139956D+01  0.148240D+01
      3  -0.156902D+01 -0.203953D-01 -0.139956D+01 -0.156020D+01 -0.994489D+00
               101           102           103           104           105 
      1   0.148240D+01 -0.994489D+00  0.109036D+01 -0.104302D+01  0.108803D+01
      2  -0.107980D+01  0.116039D+01 -0.104302D+01  0.308332D+01 -0.177361D+01
      3   0.116039D+01 -0.155555D+01  0.108803D+01 -0.177361D+01  0.183222D+01
               106           107           108           109           110 
      1  -0.191210D+01  0.192007D+01 -0.202785D+01  0.206880D+01  0.187388D+01
      2   0.192007D+01 -0.347877D+01  0.271677D+01  0.187388D+01  0.377655D+01
      3  -0.202785D+01  0.271677D+01 -0.418660D+01  0.133772D+01  0.174980D+01
               111           112           113           114           115 
      1   0.133772D+01  0.144396D+01  0.178855D+01  0.101611D+01  0.127207D+01
      2   0.174980D+01  0.178855D+01  0.494171D+01  0.184057D+01  0.107230D+01
      3   0.138839D+01  0.101611D+01  0.184057D+01  0.174903D+01  0.582593D+00
               116           117           118           119           120 
      1   0.107230D+01  0.582593D+00 -0.565672D+01  0.655022D+00  0.308875D+01
      2   0.227670D+01  0.217688D+01  0.655022D+00 -0.911575D+00  0.236178D-01
      3   0.217688D+01  0.207091D+01  0.308875D+01  0.236178D-01 -0.283102D+01
               121           122           123           124           125 
      1  -0.987748D+00 -0.333254D+00  0.830798D+00  0.333569D+01 -0.556566D-01
      2  -0.333254D+00 -0.259383D+00  0.419086D+00 -0.556566D-01  0.946814D+00
      3   0.830798D+00  0.419086D+00 -0.488509D+00 -0.292886D+01  0.669631D+00
               126           127           128           129           130 
      1  -0.292886D+01  0.249014D+01 -0.223684D+01  0.527125D+00 -0.240745D+01
      2   0.669631D+00 -0.223684D+01  0.295843D+01  0.157529D+00  0.314115D+01
      3   0.337932D+01  0.527125D+00  0.157529D+00  0.488515D+00  0.899645D-01
               131           132           133           134           135 
      1   0.314115D+01  0.899645D-01 -0.491871D+00  0.927010D+00  0.186703D+00
      2  -0.691358D+01  0.419481D+00  0.927010D+00 -0.140084D+01 -0.539137D+00
      3   0.419481D+00 -0.115771D+01  0.186703D+00 -0.539137D+00 -0.367863D+00
               136           137           138           139           140 
      1  -0.319822D+01 -0.102129D+01  0.277590D+01 -0.654178D+00 -0.426873D+00
      2  -0.102129D+01 -0.120851D+01  0.160082D+01 -0.426873D+00 -0.138450D+01
      3   0.277590D+01  0.160082D+01 -0.423655D+01  0.871206D+00  0.120892D+01
               141           142           143           144           145 
      1   0.871206D+00  0.212670D+01  0.923251D+00 -0.226703D+01  0.394766D+01
      2   0.120892D+01  0.923251D+00  0.107513D+01 -0.121028D+01  0.126437D+01
      3  -0.872450D+00 -0.226703D+01 -0.121028D+01  0.497519D+01  0.274157D+01
               146           147           148           149           150 
      1   0.126437D+01  0.274157D+01  0.234905D+01  0.181667D+01  0.194540D+01
      2   0.172708D+01  0.114820D+01  0.181667D+01  0.183700D+01  0.139534D+01
      3   0.114820D+01  0.231888D+01  0.194540D+01  0.139534D+01  0.276849D+01
               151           152           153 
      1   0.200932D+01  0.105807D+01  0.170736D+01
      2   0.105807D+01  0.944415D+00  0.120503D+01
      3   0.170736D+01  0.120503D+01  0.319621D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.860457D-02  0.292507D-02  0.757696D-02  0.470713D-02 -0.130694D-01
      2   0.832556D-02  0.145142D-01  0.482025D+01  0.108687D-01  0.122800D-02
      3  -0.213182D-01 -0.482141D+01 -0.508623D-02  0.481754D+01 -0.206290D-01
                 6             7             8             9            10 
      1  -0.481518D+01  0.170799D-01  0.481070D+01 -0.893138D-02  0.119344D+01
      2   0.260663D-02 -0.481310D+01 -0.452362D-02  0.430398D-02 -0.711811D+01
      3  -0.727130D-02  0.153130D-02  0.167377D-02 -0.149128D-01 -0.968251D+00
                11            12            13            14            15 
      1   0.689118D+01  0.375948D+01  0.862488D+01 -0.188300D+01 -0.432878D+01
      2  -0.630671D+01  0.337205D+01 -0.582700D+01 -0.275606D+01 -0.796169D+01
      3   0.448485D+01  0.511390D+01  0.101646D+02 -0.321263D+01 -0.586840D+01
                16            17            18            19            20 
      1   0.434934D+01  0.680727D+00  0.709167D+00 -0.327452D+01 -0.208147D+01
      2  -0.356640D+01 -0.855253D+01  0.986139D+01  0.658702D+01  0.631042D+01
      3   0.463411D+01 -0.413609D+01  0.420300D+01 -0.433421D+01 -0.734688D+01
                21            22            23            24            25 
      1   0.749999D+01 -0.316045D+01 -0.305119D+01 -0.544988D+01  0.897022D+01
      2  -0.389299D+01  0.527919D+01 -0.434264D+01 -0.158630D+01 -0.958182D+01
      3  -0.303700D+01 -0.100151D+01  0.102662D+02  0.750377D+01 -0.200325D+01
                26            27            28            29            30 
      1   0.121406D+00  0.631392D+01  0.451383D+01  0.467777D+01 -0.728656D+01
      2  -0.306032D+01 -0.226129D+01  0.115031D+01  0.472338D+01  0.414114D+00
      3   0.642405D+01 -0.590753D+01  0.459043D+01 -0.880650D+01 -0.923788D+01
                31            32            33            34            35 
      1   0.511792D+01 -0.241789D+01  0.356805D+01 -0.875271D+01  0.986289D+01
      2   0.393638D+01  0.798636D+00  0.470275D+01 -0.406089D+01  0.617514D+01
      3  -0.193395D+01 -0.717543D+01 -0.591759D+01 -0.845128D+01 -0.547641D+01
                36            37            38            39            40 
      1  -0.207902D+01 -0.242177D+01 -0.948090D+01 -0.399827D+01 -0.105760D+02
      2  -0.192350D+01 -0.623529D+00 -0.474353D+01  0.118526D+02 -0.341229D+01
      3   0.257713D+01  0.727785D+00 -0.853291D-01  0.716506D+01  0.453284D+01
                41            42            43            44            45 
      1   0.735855D+01 -0.554962D+01 -0.458695D+01  0.108635D+01 -0.495017D+01
      2   0.629845D+01  0.486298D+01  0.545701D+01  0.545053D+01 -0.568648D+01
      3   0.127772D+00  0.427711D+01  0.583776D+01  0.317961D+01 -0.862750D+00
                46            47            48            49            50 
      1  -0.298825D+00  0.921516D+00  0.868790D-01 -0.421028D+00 -0.220706D+01
      2  -0.271281D+01  0.179308D+01 -0.243796D+01  0.283231D+01 -0.244976D+01
      3  -0.139554D+01 -0.662273D-01 -0.149836D+01  0.144474D+01 -0.197872D+01
                51            52            53            54            55 
      1  -0.138910D+00 -0.439353D+00  0.419738D+01  0.719727D+00  0.251246D+01
      2   0.448755D+01 -0.529749D+01  0.435218D+01 -0.999016D+01  0.253840D+01
      3   0.284025D+01 -0.237735D+01  0.287049D+01 -0.392796D+01  0.267320D+01
                56            57            58            59            60 
      1  -0.389109D+01 -0.719082D+00 -0.363410D+01  0.695754D+01  0.366377D-01
      2  -0.542249D+00  0.166754D+01 -0.203824D+01  0.950023D+00 -0.191694D+01
      3  -0.582837D+01 -0.194893D+01 -0.248484D+01  0.906928D+01  0.268905D+01
                61            62            63            64            65 
      1  -0.157537D+01  0.289583D+01  0.942593D+00 -0.323994D+01 -0.296846D+01
      2  -0.836800D+00  0.130555D+00 -0.163234D+01  0.625243D+01  0.418547D+01
      3  -0.139813D+01  0.278009D+01  0.147173D+01 -0.454407D+00 -0.484503D+01
                66            67            68            69            70 
      1  -0.261311D+01 -0.335808D+01 -0.309786D+01 -0.306456D+01 -0.173419D+01
      2   0.474965D+01  0.423682D+01  0.388114D+01  0.430989D+01  0.231118D+01
      3  -0.964258D+00 -0.828461D+00 -0.428594D+01 -0.494082D+00 -0.230291D+00
                71            72            73            74            75 
      1  -0.821548D+00 -0.227949D+01 -0.203862D+01  0.210417D+01 -0.333582D+01
      2   0.289310D+01  0.315511D+01 -0.829483D+00 -0.694486D+00  0.293201D+01
      3  -0.209434D+01 -0.117092D+01  0.242851D+01 -0.207894D+01  0.270890D+01
                76            77            78            79            80 
      1   0.148958D+01 -0.311046D+01  0.249569D+01 -0.373196D+01  0.559490D+01
      2   0.513405D+00  0.124631D+01 -0.213949D+01 -0.107482D+01 -0.924810D+00
      3  -0.488278D+00  0.196014D+01 -0.272292D+01  0.264402D+01 -0.393573D+01
                81            82            83            84            85 
      1  -0.753456D+01  0.400777D+01  0.116699D+01 -0.410489D+01  0.179156D+01
      2   0.616631D+01 -0.646242D+01 -0.253272D+01  0.711926D+01 -0.206211D+01
      3   0.467449D+01  0.523163D+01 -0.199800D+01 -0.145682D+01  0.148349D+01
                86            87            88            89            90 
      1   0.126192D+01 -0.179681D+01 -0.338737D+01  0.209615D-02  0.334121D+01
      2  -0.128347D+01  0.177974D+01  0.369113D+01  0.159898D+01 -0.556237D+01
      3  -0.111977D+01 -0.535955D+00 -0.270647D+01  0.129627D+01  0.180052D+01
                91            92            93            94            95 
      1   0.864035D+00 -0.148290D+01  0.971738D+00 -0.575517D+00  0.444397D+01
      2   0.162932D+01 -0.220817D+01  0.188024D+00 -0.301022D+01  0.379278D+01
      3  -0.395746D+01  0.354847D+01  0.135221D+01  0.676935D+01 -0.966351D+01
                96            97            98            99           100 
      1  -0.285995D+01 -0.603626D+00  0.119981D+01 -0.123060D+01  0.201705D+01
      2   0.171637D+01 -0.123193D+01  0.193546D+01  0.131573D+01  0.875312D+00
      3  -0.320400D+01  0.178142D+01 -0.290887D+01 -0.136303D+01 -0.232373D+01
               101           102           103           104           105 
      1  -0.178509D+01  0.406232D+01 -0.237610D+01  0.314056D+01 -0.575893D+01
      2  -0.160717D+01  0.321403D+01 -0.759285D+00  0.203847D+01 -0.304077D+01
      3  -0.164886D+00 -0.380177D+00  0.248429D+01  0.142159D+01  0.354281D+00
               106           107           108           109           110 
      1   0.362064D+01 -0.275175D+01  0.931355D+01 -0.131512D+01 -0.702656D-01
      2   0.168805D+00 -0.276051D+01  0.567231D+01 -0.302338D+01 -0.207052D+01
      3  -0.253841D+01 -0.101238D+01 -0.863808D+00  0.634576D+01  0.373664D+01
               111           112           113           114           115 
      1  -0.256086D+01 -0.977173D+00  0.122284D+00 -0.411874D+01 -0.450765D+00
      2  -0.226452D+00 -0.269920D+01 -0.249210D+01 -0.135350D+01 -0.262123D+01
      3   0.337663D+01  0.654671D+01  0.604729D+01  0.345499D+01  0.437213D+01
               116           117           118           119           120 
      1  -0.623970D+00 -0.286946D+01 -0.460193D+01 -0.218085D+01  0.477916D+01
      2  -0.210206D+01 -0.121836D+01  0.114490D+01 -0.389718D+00  0.351736D+01
      3   0.316527D+01  0.258457D+01 -0.793749D+01 -0.288570D+01  0.496983D+01
               121           122           123           124           125 
      1  -0.106254D+01 -0.120027D+01 -0.545420D-01  0.435705D+01  0.179095D+01
      2   0.680071D-01 -0.240872D+00  0.338950D+00 -0.937766D+00 -0.438864D+00
      3  -0.496271D+00 -0.130738D+01  0.130066D+01  0.546231D+01  0.258186D+01
               126           127           128           129           130 
      1  -0.461110D+01 -0.278811D+01  0.498919D+01  0.213028D+01  0.484267D+01
      2  -0.276908D+01 -0.297801D+01  0.330593D+01  0.131742D+01  0.378213D+01
      3  -0.394459D+01 -0.157520D+01 -0.178382D+01 -0.547673D+00  0.265874D+01
               131           132           133           134           135 
      1  -0.985223D+01 -0.395853D+01  0.115496D+01 -0.122307D+01 -0.183373D+01
      2  -0.463694D+01 -0.252618D+01 -0.196265D+00 -0.138267D+01 -0.969969D+00
      3   0.311242D+01 -0.223319D+00  0.288831D+00  0.410925D+00  0.231964D+00
               136           137           138           139           140 
      1   0.754638D+00 -0.202171D+01 -0.150600D+01  0.255020D+00 -0.144989D+01
      2   0.846072D+01  0.213335D+01 -0.428655D+01  0.233587D+01  0.115769D+01
      3   0.397012D+01 -0.544152D+00 -0.288430D+01  0.181040D+01  0.632006D+00
               141           142           143           144           145 
      1  -0.239726D+00 -0.445368D+00  0.281446D+01  0.250683D+01  0.412422D+01
      2  -0.184475D+01 -0.757277D+01 -0.224348D+01  0.553640D+01 -0.489832D+01
      3  -0.138075D+01 -0.325146D+01 -0.481256D+00  0.270331D+01 -0.299982D+01
               146           147           148           149           150 
      1   0.520898D+01  0.282719D+01  0.401399D+01  0.499791D+01  0.206603D+01
      2  -0.137067D+01 -0.352595D+00 -0.318663D+01 -0.196289D+01  0.168774D+00
      3  -0.448305D+01 -0.272618D+01 -0.151046D+01 -0.387271D+01 -0.206516D+01
               151           152           153 
      1   0.323836D+01  0.433117D+01  0.355021D+01
      2  -0.380581D+01 -0.106609D+01  0.301348D+00
      3  -0.206547D+01 -0.266516D+01 -0.219120D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.514606D+01 -0.337695D+01  0.308114D+01 -0.337744D+01 -0.208870D+01
      2  -0.210953D+01  0.360802D+01 -0.145287D+01  0.360682D+01  0.198388D+01
      3  -0.303654D+01 -0.231074D+00 -0.162827D+01 -0.229381D+00  0.104824D+00
      4  -0.339318D+01 -0.264191D+01 -0.963067D+00 -0.264176D+01  0.362269D+01
      5   0.307201D+01 -0.970630D+00 -0.357654D+01 -0.967018D+00 -0.144893D+01
      6  -0.968344D+00 -0.144872D+01 -0.241320D+00 -0.144858D+01 -0.427042D+01
                 6             7             8             9            10 
      1  -0.960369D+00  0.309696D+01 -0.945317D+00 -0.304688D+01 -0.606032D+01
      2  -0.425464D+01 -0.144759D+01 -0.424643D+01  0.111973D+00 -0.401338D+01
      3   0.521501D+01 -0.164937D+01  0.519174D+01  0.293491D+01  0.100737D+02
      4  -0.144654D+01 -0.945645D+00 -0.145095D+01 -0.249949D+00 -0.144056D+01
      5  -0.233227D+00 -0.358375D+01 -0.231303D+00 -0.163901D+01 -0.615361D+01
      6  -0.432607D+00 -0.245127D+00 -0.439259D+00  0.520371D+01 -0.438481D+01
                11            12            13            14            15 
      1  -0.444661D+01 -0.241618D+01 -0.468391D+01 -0.873239D+01 -0.149381D+02
      2  -0.669297D+01  0.371748D+01 -0.560915D+01  0.541750D+01  0.180227D+01
      3   0.111396D+02 -0.130130D+01  0.102931D+02  0.331488D+01  0.131359D+02
      4  -0.134391D+02 -0.105923D+02 -0.142100D+02  0.245639D+01  0.175245D+01
      5  -0.915971D+01  0.647867D+01 -0.996367D+01  0.716514D+01  0.317082D+01
      6   0.470203D+01  0.908880D+01  0.507800D+01 -0.392515D+01 -0.729848D+01
                16            17            18            19            20 
      1  -0.257332D+01 -0.151827D+02  0.147875D+02 -0.930000D+01 -0.935327D+01
      2   0.316068D+01  0.254234D+01 -0.140510D+01  0.293071D+01  0.643782D+01
      3  -0.587363D+00  0.126404D+02 -0.133824D+02  0.636929D+01  0.291545D+01
      4  -0.116433D+02  0.829258D+00 -0.990730D+00 -0.416547D+01  0.180540D+01
      5   0.670276D+01  0.256831D+01 -0.101188D+01  0.541067D+01  0.770139D+01
      6   0.764185D+01 -0.740587D+01  0.832715D+01  0.700444D+01  0.113927D+02
                21            22            23            24            25 
      1   0.573670D+01 -0.955703D+01  0.147725D+02  0.984307D+01  0.626636D+01
      2   0.937513D+01  0.544790D+01 -0.151319D+02 -0.115143D+02  0.849485D+01
      3  -0.151118D+02  0.410913D+01  0.359379D+00  0.167120D+01 -0.147612D+02
      4   0.116530D+02  0.270472D+01  0.348425D+01  0.514555D+01  0.124351D+02
      5  -0.644858D+01  0.782881D+01  0.443298D+01  0.838745D+01 -0.751977D+01
      6   0.485385D-01  0.103866D+02 -0.785871D+01 -0.168692D+01  0.123887D+00
                26            27            28            29            30 
      1   0.105053D+02 -0.547823D+01 -0.350016D+01  0.755064D+01  0.115088D+02
      2  -0.116658D+02  0.121963D+02  0.535174D+01 -0.976149D+01 -0.178552D+02
      3   0.116045D+01 -0.671803D+01 -0.185158D+01  0.221085D+01  0.634637D+01
      4   0.527580D+01  0.664682D+00  0.264186D+01 -0.578517D+00 -0.216277D+01
      5   0.726171D+01 -0.984692D+01  0.700794D+01  0.328314D+01 -0.109816D+02
      6  -0.909781D+00  0.859130D+00 -0.559827D+01 -0.140584D+02  0.479753D+01
                31            32            33            34            35 
      1   0.771167D+01  0.576814D+01  0.619974D+01  0.120551D+02  0.528385D+01
      2  -0.940162D+01 -0.245766D+01 -0.176915D+00 -0.176938D+02 -0.261822D+00
      3   0.168995D+01 -0.331048D+01 -0.602283D+01  0.563867D+01 -0.502202D+01
      4  -0.165643D+00 -0.112016D+02 -0.121172D+02 -0.157872D+01 -0.129471D+02
      5   0.478317D+01 -0.719226D+01  0.115762D+01 -0.111227D+02  0.223450D+01
      6  -0.130703D+02  0.250975D+01 -0.954664D+01  0.534968D+01 -0.100064D+02
                36            37            38            39            40 
      1  -0.225781D+01  0.306094D+01  0.185173D+01 -0.107928D+02  0.213449D+01
      2  -0.289732D+01  0.424502D+01  0.147534D+02  0.287890D+01  0.143002D+02
      3   0.515513D+01 -0.730596D+01 -0.166051D+02  0.791389D+01 -0.164346D+02
      4   0.856604D+01 -0.142635D+01 -0.808104D+01 -0.137228D+00 -0.861095D+01
      5   0.184959D+00 -0.223427D+01 -0.305779D+01 -0.105752D+02 -0.388575D+01
      6   0.309464D+01  0.174834D+01 -0.392735D+01 -0.142518D+02 -0.427598D+01
                41            42            43            44            45 
      1  -0.330053D+01 -0.236220D+01 -0.117264D+02 -0.187784D+01  0.242697D+00
      2  -0.773588D+01  0.435770D+01  0.414445D+01  0.385284D+01  0.349570D+01
      3   0.110364D+02 -0.199550D+01  0.758190D+01 -0.197500D+01 -0.373839D+01
      4   0.997524D+01  0.333246D+01 -0.472921D+00  0.495013D+01 -0.854103D+01
      5  -0.627713D+01 -0.130486D+02 -0.956605D+01 -0.123909D+02  0.852772D+01
      6   0.375396D+01  0.113454D+01 -0.134330D+02  0.922182D+00 -0.549094D+01
                46            47            48            49            50 
      1  -0.133404D+01  0.338671D+01 -0.592287D+01  0.300436D+01 -0.605126D+01
      2  -0.618255D+00 -0.105115D+01 -0.157364D+01 -0.839616D+00  0.238859D+01
      3   0.195229D+01 -0.233556D+01  0.749651D+01 -0.216475D+01  0.366267D+01
      4  -0.758801D+00  0.232879D+01 -0.241063D+00  0.386585D+01  0.234120D+01
      5   0.290163D+01 -0.792566D+00  0.315494D+01 -0.158427D+01 -0.284041D+01
      6  -0.191198D+01  0.297719D+01 -0.398422D+01  0.167952D+00 -0.899762D+01
                51            52            53            54            55 
      1   0.985765D+01 -0.450214D+01  0.953299D+01 -0.206650D+02  0.133349D+02
      2   0.417352D-02  0.126323D+01 -0.196952D+00 -0.106566D+02 -0.754800D+01
      3  -0.986182D+01  0.323890D+01 -0.933604D+01  0.313216D+02 -0.578689D+01
      4  -0.293947D+01 -0.615912D+00 -0.358519D+01  0.380472D+01 -0.807878D+01
      5   0.380552D+01  0.557935D+01  0.318280D+01 -0.956574D+01 -0.994512D+01
      6   0.121134D+02 -0.140506D+01  0.118712D+02 -0.159742D+02  0.487435D+01
                56            57            58            59            60 
      1  -0.606264D+01 -0.319426D+01 -0.906271D+01  0.320544D+01  0.147791D+01
      2   0.485352D+01  0.406488D+01  0.605938D+01  0.639575D+00 -0.399907D+01
      3   0.120912D+01 -0.870623D+00  0.300333D+01 -0.384501D+01  0.252116D+01
      4   0.109708D+02  0.423431D+01  0.124626D+02 -0.158179D+02 -0.524944D+01
      5   0.699489D+01  0.726035D+01  0.103215D+02 -0.794678D+01 -0.890468D+01
      6  -0.552496D+01 -0.351722D+01 -0.663403D+01  0.122046D+02  0.764756D+01
                61            62            63            64            65 
      1  -0.192854D+01  0.193623D+01 -0.132438D+01  0.229383D+02  0.951254D+01
      2   0.374875D+01 -0.300004D+01 -0.384439D+01 -0.637579D+01  0.930888D+00
      3  -0.182021D+01  0.106381D+01  0.516878D+01 -0.165625D+02 -0.104434D+02
      4   0.370193D+01 -0.368887D+01 -0.352297D+01  0.153773D+02  0.139468D+02
      5   0.705186D+01 -0.562670D+01 -0.693414D+01 -0.205296D+01 -0.536839D-01
      6  -0.392330D+01  0.674962D+01  0.304675D+01 -0.168186D+01 -0.302848D+01
                66            67            68            69            70 
      1   0.413283D+01  0.108600D+02  0.520994D+01  0.330830D+01  0.822442D+01
      2  -0.187147D-01  0.803454D+00  0.588209D+01  0.179310D+01 -0.205193D+01
      3  -0.411411D+01 -0.116634D+02 -0.110920D+02 -0.510141D+01 -0.617249D+01
      4   0.355258D+01  0.152913D+02  0.142481D+02  0.221677D+01  0.631804D+01
      5   0.476257D+01 -0.942427D+00 -0.117635D+01  0.365405D+01  0.361510D+01
      6   0.341564D+00 -0.275428D+01 -0.198080D+01  0.350817D+01  0.577620D+00
                71            72            73            74            75 
      1   0.338346D+01  0.125227D+01  0.753502D+01 -0.491040D+00  0.353119D+01
      2   0.219810D+01 -0.285908D+00 -0.824053D+01  0.174238D+01 -0.903739D+01
      3  -0.558157D+01 -0.966366D+00  0.705508D+00 -0.125134D+01  0.550621D+01
      4   0.543706D+01  0.364797D+01  0.156598D+01  0.304368D+01 -0.586408D+00
      5   0.265190D+01  0.438084D+01  0.100505D+02 -0.286752D+01  0.131685D+02
      6   0.231350D+01  0.110611D+01  0.344834D+00  0.207659D+00  0.224484D+01
                76            77            78            79            80 
      1  -0.258840D+01 -0.163030D+01 -0.504259D+00  0.385940D+01 -0.186571D+01
      2   0.352056D+01 -0.655844D+00  0.720769D+01 -0.103982D+02  0.608640D+01
      3  -0.932168D+00  0.228615D+01 -0.670343D+01  0.653885D+01 -0.422070D+01
      4   0.220754D+01 -0.354054D+01  0.281886D+01  0.393384D+00  0.379353D+01
      5  -0.578511D+01  0.318182D+01 -0.688179D+01  0.148259D+02 -0.331597D+01
      6   0.605073D+00 -0.239989D+01  0.351231D+01  0.236573D+01  0.495595D+01
                81            82            83            84            85 
      1  -0.322626D+01  0.264972D+02  0.601018D+01 -0.820029D+01  0.431637D+01
      2  -0.194714D+02 -0.817299D+01  0.130949D+01  0.588414D+00  0.176477D+01
      3   0.226977D+02 -0.183242D+02 -0.731967D+01  0.761188D+01 -0.608114D+01
      4   0.620684D-01  0.176449D+02  0.108289D+02 -0.606451D+01  0.951281D+01
      5   0.215825D+02 -0.401826D+01 -0.144544D+01  0.765832D+01 -0.121011D+01
      6   0.459066D+01 -0.396780D+01 -0.199187D+01  0.465617D+01 -0.253250D+01
                86            87            88            89            90 
      1   0.704823D+00 -0.206506D+01 -0.118215D+02 -0.211834D+01  0.498213D+01
      2   0.455338D+01 -0.116288D+00  0.252597D+01 -0.170277D+01 -0.324418D+01
      3  -0.525820D+01  0.218134D+01  0.929552D+01  0.382111D+01 -0.173795D+01
      4   0.665967D+01 -0.406451D+01 -0.945470D+01 -0.711083D+01  0.467636D+01
      5  -0.181303D+01  0.534525D+00  0.745294D+01  0.158395D+01 -0.671043D+01
      6  -0.236181D+00  0.329883D+01  0.449151D+01  0.321556D+01 -0.573636D+01
                91            92            93            94            95 
      1  -0.163378D+01  0.839143D+01  0.254792D+01  0.675104D+01 -0.226414D+02
      2   0.358168D+01 -0.104351D+02 -0.208997D+01 -0.617435D+01  0.331194D+02
      3  -0.194791D+01  0.204366D+01 -0.457955D+00 -0.576691D+00 -0.104780D+02
      4  -0.378938D+01  0.413295D+01  0.264787D+00  0.572071D+01  0.449214D+01
      5  -0.301230D+01  0.179452D+01  0.215443D+01  0.238795D+01 -0.284683D+00
      6   0.220129D+01 -0.633917D+01 -0.462912D+01 -0.325119D+01  0.180753D+02
                96            97            98            99           100 
      1  -0.822829D+01  0.125311D+01 -0.740052D+01 -0.487406D+01  0.466936D+01
      2   0.729602D+01 -0.189038D+01  0.618705D+01  0.191917D+01  0.284215D+00
      3   0.932265D+00  0.637275D+00  0.121347D+01  0.295489D+01 -0.495357D+01
      4   0.119752D+01  0.333426D-03  0.109923D+01  0.338305D+00 -0.895052D+01
      5   0.566842D+00  0.313709D+01 -0.241684D+00  0.161094D+01  0.344406D+01
      6   0.112437D+02 -0.184221D+01  0.104523D+02  0.688292D+01 -0.357734D+01
               101           102           103           104           105 
      1  -0.182745D+01  0.110439D+01 -0.105403D+01 -0.567511D+01  0.150395D+01
      2  -0.318220D+01  0.274575D+01 -0.364333D+01  0.138550D+02 -0.662740D+01
      3   0.500964D+01 -0.385014D+01  0.469736D+01 -0.817991D+01  0.512346D+01
      4   0.891158D+01 -0.550084D+01  0.805696D+01 -0.915669D+01  0.706654D+01
      5  -0.317994D+01  0.697612D+01 -0.258028D+01  0.420984D+01 -0.374248D+01
      6   0.464689D+01 -0.544349D+01  0.483768D+01 -0.780615D+01  0.101217D+02
               106           107           108           109           110 
      1   0.215051D+01  0.369486D+01 -0.261607D+01 -0.242204D+01 -0.889366D+01
      2   0.256056D+01 -0.103743D+02  0.303251D+01  0.413232D+01  0.132883D+02
      3  -0.471107D+01  0.667941D+01 -0.416435D+00 -0.171028D+01 -0.439463D+01
      4  -0.872759D+01  0.102547D+02 -0.798478D+01  0.895394D+01  0.753783D+01
      5   0.735617D+01 -0.503151D+01  0.941434D+01  0.294355D+01  0.184477D+01
      6  -0.630930D+01  0.117555D+02 -0.158034D+02  0.532032D+01  0.853771D+01
               111           112           113           114           115 
      1  -0.559616D+01 -0.660733D+01 -0.161525D+02 -0.805941D+01 -0.493134D+01
      2   0.425846D+01  0.833782D+01  0.244146D+02  0.781759D+01  0.401839D+01
      3   0.133770D+01 -0.173048D+01 -0.826210D+01  0.241812D+00  0.912948D+00
      4   0.396872D+01  0.736331D+01  0.496466D+01  0.307161D+01  0.418752D+01
      5   0.369597D+01  0.121994D+01  0.154100D+01 -0.229145D-01  0.429773D+01
      6   0.674997D+01  0.579798D+01  0.130477D+02  0.110929D+02  0.368175D+01
               116           117           118           119           120 
      1  -0.890411D+01 -0.712083D+01  0.189226D+02  0.389924D+00 -0.763973D+01
      2   0.864687D+01  0.406006D+01 -0.136922D+02 -0.259694D+01  0.100391D+02
      3   0.257237D+00  0.306078D+01 -0.523038D+01  0.220701D+01 -0.239939D+01
      4   0.277608D+01  0.141388D+01 -0.121249D+02  0.642026D+01  0.645554D+01
      5   0.460712D+00  0.119240D+01 -0.160859D+02  0.934576D+00  0.136737D+02
      6   0.122390D+02  0.999091D+01  0.686083D+01 -0.164562D+01 -0.701897D+01
               121           122           123           124           125 
      1   0.281319D+01  0.525343D+00 -0.129605D+01 -0.816212D+01 -0.183065D+01
      2  -0.313101D+01 -0.329130D+00  0.307726D+01  0.103280D+02  0.304904D+01
      3   0.317822D+00 -0.196213D+00 -0.178121D+01 -0.216590D+01 -0.121839D+01
      4   0.359874D+01  0.911770D+00 -0.125077D+01  0.743303D+01 -0.256858D+01
      5  -0.188005D+01 -0.185789D+01  0.156317D+01  0.139396D+02 -0.139662D+01
      6  -0.814007D+00 -0.538113D-01  0.299722D+01 -0.638374D+01  0.522658D+01
               126           127           128           129           130 
      1   0.195910D+01  0.498534D+01 -0.216310D+01 -0.211546D+00 -0.238165D+01
      2  -0.878789D+01  0.161293D+01 -0.738378D+01 -0.128998D+01 -0.746544D+01
      3   0.682879D+01 -0.659827D+01  0.954688D+01  0.150153D+01  0.984709D+01
      4  -0.617873D+01 -0.105070D+02  0.129588D+02 -0.470031D+00  0.133986D+02
      5  -0.132073D+02  0.484436D+01 -0.380933D+01  0.457414D+01 -0.486765D+01
      6   0.712173D+01 -0.415492D+01  0.646731D+01 -0.123008D+01  0.623002D+01
               131           132           133           134           135 
      1  -0.627734D+01  0.271517D+01 -0.112665D+01  0.498469D+00 -0.706041D+00
      2   0.236399D+02  0.128656D+01 -0.100915D+01  0.399138D+01  0.132642D+01
      3  -0.173625D+02 -0.400173D+01  0.213580D+01 -0.448985D+01 -0.620378D+00
      4  -0.182565D+02  0.565610D+00  0.227151D+01 -0.249170D+01 -0.162530D+01
      5   0.588392D+01 -0.212079D+01  0.263692D+01 -0.989865D+00 -0.115658D+01
      6  -0.135947D+02  0.629162D+01 -0.545556D+00  0.340924D+01  0.912172D+00
               136           137           138           139           140 
      1  -0.226983D+01 -0.367083D+01  0.930676D+01 -0.263748D+01 -0.362768D+01
      2  -0.427579D+01  0.429664D+00  0.548993D+01 -0.394722D+00  0.245898D+01
      3   0.654562D+01  0.324116D+01 -0.147967D+02  0.303220D+01  0.116869D+01
      4   0.641012D+01  0.449215D+01 -0.410768D+01  0.455678D+01  0.739830D+00
      5  -0.126500D+02 -0.295203D+01  0.113730D+02 -0.202225D+01 -0.193122D+01
      6  -0.521296D+01 -0.676050D+01  0.917155D+01 -0.372731D+01 -0.615164D+01
               141           142           143           144           145 
      1   0.487110D+01  0.738291D+01  0.521909D+01 -0.142924D+02  0.100122D+02
      2  -0.122903D+01  0.270309D+01 -0.523346D+00 -0.971986D+01 -0.123830D+02
      3  -0.364207D+01 -0.100860D+02 -0.469575D+01  0.240123D+02  0.237084D+01
      4  -0.234145D+01 -0.357181D+01 -0.186525D+01  0.394447D+01  0.204089D+01
      5   0.296248D+01  0.104124D+02  0.325946D+01 -0.869656D+01  0.164781D+02
      6   0.815941D+01  0.622940D+01  0.808735D+01 -0.113951D+02  0.310389D+01
               146           147           148           149           150 
      1   0.319253D+01  0.302456D+01  0.435882D+01  0.700674D+00 -0.136294D+01
      2  -0.624992D+01 -0.984056D+01 -0.718149D+01 -0.146177D+01 -0.672516D+01
      3   0.305740D+01  0.681601D+01  0.282267D+01  0.761092D+00  0.808810D+01
      4   0.529826D+01  0.696627D+00  0.482473D+01  0.407732D+01  0.224235D+01
      5   0.573506D+01  0.145873D+02  0.914721D+01  0.635397D+01  0.915201D+01
      6   0.579349D+01  0.321729D+01  0.540529D+01  0.768351D+01  0.577931D+01
               151           152           153 
      1   0.248296D+01  0.711190D-01 -0.290645D+01
      2  -0.845716D+01 -0.458241D+01 -0.111201D+02
      3   0.597420D+01  0.451129D+01  0.140266D+02
      4   0.269742D+00  0.129273D+01  0.197500D+01
      5   0.127208D+02  0.602128D+01  0.118752D+02
      6   0.362597D+01  0.549897D+01  0.326380D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.679360D+02      0.100671D+02      0.112011D+02
   aniso      0.100902D-02      0.149521D-03      0.166365D-03
   xx         0.679363D+02      0.100671D+02      0.112012D+02
   yx         0.106337D-03      0.157576D-04      0.175327D-04
   yy         0.679356D+02      0.100670D+02      0.112011D+02
   zx         0.340185D-03      0.504102D-04      0.560889D-04
   zy        -0.298370D-03     -0.442138D-04     -0.491945D-04
   zz         0.679361D+02      0.100671D+02      0.112012D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199257         -1.77261301          2.27711133
     6         -2.54545341          1.37771088          0.13617656
     6          0.13192764         -1.54554824         -2.44740813
     6          2.15152906          1.94045126          0.03412950
     1         -1.25041337         -3.17768896          2.29985290
     1          0.17452134         -0.71848892          4.05005431
     1          2.06294509         -2.78069271          2.22733031
     1         -4.11526103          0.03703416          0.11598667
     1         -2.78261754          2.65548458         -1.46793637
     1         -2.69011409          2.49703054          1.86485562
     1         -1.38323258         -2.94587515         -2.52154316
     1          1.93017178         -2.54907314         -2.59353789
     1         -0.04999618         -0.32654109         -4.10361463
     1          2.10266958          3.07012065          1.76144194
     1          2.01060414          3.23088337         -1.57120859
     1          3.99110568          1.00827614         -0.06164619

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.679360D+02      0.100671D+02      0.112011D+02
   aniso      0.100902D-02      0.149521D-03      0.166365D-03
   xx         0.679364D+02      0.100671D+02      0.112012D+02
   yx         0.201931D-03      0.299231D-04      0.332939D-04
   yy         0.679359D+02      0.100671D+02      0.112011D+02
   zx         0.310517D-03      0.460138D-04      0.511973D-04
   zy        -0.209689D-03     -0.310728D-04     -0.345731D-04
   zz         0.679356D+02      0.100670D+02      0.112011D+02

 ----------------------------------------------------------------------
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 IF AT FIRST YOU DON'T SUCCEED, TRY LOOKING IN 
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 Job cpu time:       0 days  1 hours  4 minutes 25.4 seconds.
 Elapsed time:       0 days  0 hours  8 minutes  3.9 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:56:20 2022.
